Poul Jørgensen
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Danish chemist
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Chemistry
Poul Jørgensen 's Degrees
- PhD Chemistry Aarhus University
Why Is Poul Jørgensen Influential?
(Suggest an Edit or Addition)According to Wikipedia, Poul Jørgensen is professor of chemistry at the Department of Chemistry, Aarhus University , Denmark and director of the qLEAP Center for Theoretical Chemistry at AU, which was established in April 2012. Jørgensen has made seminal contributions to the field of electronic structure theory. He is also one of the main authors of the DALTON program and a member of the International Academy of Quantum Molecular Science.
Poul Jørgensen 's Published Works
Number of citations in a given year to any of this author's works
Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author
Published Works
- Basis-set convergence in correlated calculations on Ne, N2, and H2O (1998) (1583)
- Molecular Electronic-Structure Theory: Helgaker/Molecular Electronic-Structure Theory (2000) (1396)
- The second-order approximate coupled cluster singles and doubles model CC2 (1995) (1281)
- The Dalton quantum chemistry program system (2013) (1066)
- Basis-set convergence of the energy in molecular Hartree–Fock calculations (1999) (497)
- Recent advances in wave function-based methods of molecular-property calculations. (2012) (480)
- Response functions from Fourier component variational perturbation theory applied to a time-averaged quasienergy (1998) (445)
- Walking on potential energy surfaces (1983) (405)
- The CC3 model: An iterative coupled cluster approach including connected triples (1997) (369)
- Passing the one-billion limit in full configuration-interaction (FCI) calculations (1990) (325)
- Polarization propagator methods in atomic and molecular calculations (1984) (300)
- Geometrical derivatives of energy surfaces and molecular properties (1986) (292)
- The accurate determination of molecular equilibrium structures (2001) (292)
- The prediction of molecular equilibrium structures by the standard electronic wave functions (1997) (244)
- Full configuration-interaction and state of the art correlation calculations on water in a valence double-zeta basis with polarization functions (1996) (235)
- Excitation energies of BH, CH2 and Ne in full configuration interaction and the hierarchy CCS, CC2, CCSD and CC3 of coupled cluster models (1995) (213)
- Molecular equilibrium structures from experimental rotational constants and calculated vibration–rotation interaction constants (2002) (206)
- Accuracy of atomization energies and reaction enthalpies in standard and extrapolated electronic wave function/basis set calculations (2000) (202)
- Excitation energies of H2O, N2 and C2 in full configuration interaction and coupled cluster theory (1996) (201)
- Perturbative triple excitation corrections to coupled cluster singles and doubles excitation energies (1996) (199)
- Multiplex reverse transcription-polymerase chain reaction for simultaneous screening of 29 translocations and chromosomal aberrations in acute leukemia. (1998) (189)
- Vibrational Raman optical activity calculations using London atomic orbitals (1994) (177)
- A priori calculation of molecular properties to chemical accuracy (2004) (176)
- Highly accurate calculations of molecular electronic structure (1999) (176)
- Molecular electronic-structure theory (2000) (175)
- Molecular and Atomic Applications of Time-Dependent Hartree-Fock Theory (1975) (174)
- Configuration-interaction energy derivatives in a fully variational formulation (1989) (167)
- Solution of the large matrix equations which occur in response theory (1988) (166)
- Large-scale calculations of excitation energies in coupled cluster theory: The singlet excited states of benzene (1996) (165)
- A multiconfigurational time-dependent hartree-fock approach (1979) (153)
- Analytical Calculation of Geometrical Derivatives in Molecular Electronic Structure Theory (1988) (151)
- Dalton, a molecular electronic structure program, Release Dalton2011 (2011) (145)
- A systematic ab initio study of the water dimer in hierarchies of basis sets and correlation models (1997) (144)
- Linear scaling coupled cluster method with correlation energy based error control. (2010) (143)
- The equilibrium structure of ferrocene. (2006) (141)
- The primary structures of two leghemoglobin genes from soybean. (1982) (129)
- Benchmarking two-photon absorption with CC3 quadratic response theory, and comparison with density-functional response theory. (2006) (119)
- The structure of a chromosomal leghaemoglobin gene from soybean (1981) (119)
- Frequency-dependent first hyperpolarizabilities using coupled cluster quadratic response theory (1997) (117)
- The accuracy of ab initio molecular geometries for systems containing second-row atoms. (2005) (112)
- A direct atomic orbital driven implementation of the coupled cluster singles and doubles (CCSD) model (1994) (111)
- First-order one-electron properties in the integral-direct coupled cluster singles and doubles model (1997) (111)
- Full configuration interaction benchmarking of coupled-cluster models for the lowest singlet energy surfaces of N2 (2000) (110)
- Weak intramolecular interactions in ethylene glycol identified by vapor phase OH-stretching overtone spectroscopy. (2005) (107)
- The electronic spectrum of pyrrole (1999) (107)
- Basis-set convergence of the molecular electric dipole moment (1999) (106)
- TIME-DEPENDENT RESPONSE THEORY WITH APPLICATIONS TO SELF-CONSISTENT FIELD AND MULTICONFIGURATIONAL SELF-CONSISTENT FIELD WAVE FUNCTIONS (1995) (105)
- Frequency-dependent second hyperpolarizabilities using coupled cluster cubic response theory (1998) (102)
- Excitation energies, transition moments and dynamic polarizabilities for CH+. A comparison of multiconfigurational linear response and full configuration interaction calculations (1989) (102)
- Coupled-cluster connected quadruples and quintuples corrections to the harmonic vibrational frequencies and equilibrium bond distances of HF, N(2), F(2), and CO. (2004) (99)
- A density matrix-based quasienergy formulation of the Kohn-Sham density functional response theory using perturbation- and time-dependent basis sets. (2008) (97)
- Multiplex Reverse Transcription-Polymerase Chain Reaction for Simultaneous Screening of 29 Translocations and Chromosomal Aberrations in Acute Leukemia (1998) (95)
- Presence of clone-specific markers at birth in children with acute lymphoblastic leukaemia (2002) (94)
- Time‐dependent Hartree–Fock calculations in the Pariser–Parr–Pople model. Applications to aniline, azulene and pyridine (1970) (92)
- The molecular structure of ferrocene (1996) (91)
- The mechanism of action of ppGpp on rRNA synthesis in vitro (1976) (90)
- Amplification and sequence analysis of DNA flanking integrated proviruses by a simple two-step polymerase chain reaction method (1993) (89)
- A Locality Analysis of the Divide-Expand-Consolidate Coupled Cluster Amplitude Equations. (2011) (88)
- Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory. (2007) (83)
- Coupled cluster calculations of the optical rotation of S-propylene oxide in gas phase and solution (2005) (82)
- A numerically stable procedure for calculating Møller-Plesset energy derivatives, derived using the theory of Lagrangians (1989) (80)
- Linear-scaling implementation of molecular electronic self-consistent field theory. (2007) (79)
- Local orbitals by minimizing powers of the orbital variance. (2011) (78)
- The divide-expand-consolidate family of coupled cluster methods: numerical illustrations using second order Møller-Plesset perturbation theory. (2012) (72)
- Divergence in Møller–Plesset theory: A simple explanation based on a two-state model (2000) (72)
- The trust-region self-consistent field method: towards a black-box optimization in Hartree-Fock and Kohn-Sham theories. (2004) (70)
- Triplet excitation energies in full configuration interaction and coupled-cluster theory (2001) (69)
- On the inherent divergence in the Møller-Plesset series. The neon atom — a test case (1996) (68)
- Orbital connections for perturbation-dependent basis sets (1995) (68)
- Orbital localization using fourth central moment minimization. (2012) (68)
- Accuracy of spectroscopic constants of diatomic molecules from ab initio calculations (2003) (68)
- Linear-Scaling Coupled Cluster with Perturbative Triple Excitations: The Divide-Expand-Consolidate CCSD(T) Model. (2015) (67)
- THE ELECTRONIC SPECTRUM OF FURAN (1998) (67)
- Direct optimization of the AO density matrix in Hartree-Fock and Kohn-Sham theories (2000) (66)
- CCSDT calculations of molecular equilibrium geometries (1997) (64)
- Optimization and Characterization of a Multiconfigurational Self‐Consistent Field (MCSCF) State (2007) (64)
- MAGNETIZABILITY OF HYDROCARBONS (1994) (63)
- Accurate magnetizabilities of the isoelectronic series BeH−, BH, and CH+. The MCSCF-GIAO approach (1995) (62)
- The nucleotide sequence of the Akv murine leukemia virus genome. (1984) (61)
- Trust Region Minimization of Orbital Localization Functions. (2012) (61)
- A gradient extremal walking algorithm (1988) (61)
- On the Efficiency of Algorithms for Solving Hartree-Fock and Kohn-Sham Response Equations. (2011) (61)
- Response Theory and Calculations of Molecular Hyperpolarizabilities (1995) (60)
- Gauge-origin independent magneto-optical activity within coupled cluster response theory (2000) (60)
- Frequency dependent polarizabilities in a multiconfigurational time dependent Hartree-Fock approximation (1980) (59)
- Quasienergy formulation of damped response theory. (2009) (58)
- Coupled-cluster connected-quadruples corrections to atomization energies (2003) (58)
- The accuracy of molecular dipole moments in standard electronic structure calculations (2000) (57)
- A preferred region for recombinational patch repair in the 5' untranslated region of primer binding site-impaired murine leukemia virus vectors (1996) (56)
- Comparison of coupled-cluster and Brueckner coupled-cluster calculations of molecular properties (1993) (56)
- A Lagrangian, integral-density direct formulation and implementation of the analytic CCSD and CCSD(T) gradients (2003) (55)
- Mutated primer binding sites interacting with different tRNAs allow efficient murine leukemia virus replication (1993) (54)
- Proper characterization of MC SCF stationary points (1983) (54)
- MP2 energy and density for large molecular systems with internal error control using the Divide-Expand-Consolidate scheme. (2012) (53)
- Ab initio calculation of electronic circular dichroism fortrans-cyclooctene using London atomic orbitals (1995) (52)
- AB INITIO DETERMINATIONS OF MAGNETIC CIRCULAR DICHROISM (1999) (51)
- Calculation of Geometrical Derivatives in Molecular Electronic Structure Theory (1992) (51)
- Murine helix-loop-helix transcriptional activator proteins binding to the E-box motif of the Akv murine leukemia virus enhancer identified by cDNA cloning (1992) (50)
- Calculation of frequency-dependent polarizabilities using the approximate coupled-cluster triples model CC3 (2003) (49)
- Sequence tags of provirus integration sites in DNAs of tumors induced by the murine retrovirus SL3-3 (1996) (48)
- Linear-scaling symmetric square-root decomposition of the overlap matrix. (2007) (47)
- Self-consistent time-dependent Hartree--Fock scheme (1974) (47)
- The molecular electric quadrupole moment of N2 (1998) (47)
- Integral direct calculation of CC2 excitation energies: singlet excited states of benzene (1996) (46)
- A numerical study of the convergency of second and approximate second-order multiconfiguration Hartree-Fock procedures (1980) (45)
- High-order correlation effects on dynamic hyperpolarizabilities and their geometric derivatives: a comparison with density functional results. (2006) (45)
- Ab initio study of magnetochiral birefringence (2002) (45)
- Hartree-Fock and Kohn-Sham time-dependent response theory in a second-quantization atomic-orbital formalism suitable for linear scaling. (2008) (44)
- Damped response theory description of two-photon absorption. (2011) (44)
- Maximum locality in occupied and virtual orbital spaces using a least-change strategy. (2009) (42)
- The augmented Roothaan-Hall method for optimizing Hartree-Fock and Kohn-Sham density matrices. (2008) (42)
- Gauge-Origin Independent Formulation and Implementation of Magneto-Optical Activity within Atomic-Orbital-Density Based Hartree-Fock and Kohn-Sham Response Theories. (2009) (42)
- Coupled-cluster singles, doubles and triples (CCSDT) calculations of atomization energies (2000) (42)
- Chemical accuracy from ‘Coulomb hole’ extrapolated molecular quantum-mechanical calculations (2001) (42)
- Coupled-cluster theory in a projected atomic orbital basis. (2006) (41)
- Molecular gradient for second-order Møller-Plesset perturbation theory using the divide-expand-consolidate (DEC) scheme. (2012) (41)
- An analysis and implementation of a general coupled cluster approach to excitation energies with application to the B2 molecule (2001) (41)
- Pipek–Mezey localization of occupied and virtual orbitals (2013) (40)
- Analysis of excitation energies and transition moments (1978) (39)
- Direct optimization of the atomic-orbital density matrix using the conjugate-gradient method with a multilevel preconditioner (2001) (38)
- Characterization and Generation of Local Occupied and Virtual Hartree-Fock Orbitals. (2016) (38)
- Higher molecular-deformation derivatives of the configuration-interaction energy (1984) (38)
- COMMENT ON: GEOMETRY OPTIMIZATION WITH AN INFINITE BASIS SET BY Y. CHUANG ET AL. (1999) (36)
- Coupled cluster response calculations of two-photon transition probability rate constants for helium, neon and argon (1998) (36)
- Frequency-dependent hyperpolarizability of hydrogen fluoride (1992) (36)
- The divide–expand–consolidate MP2 scheme goes massively parallel (2013) (35)
- Poorly expressed endogenous ecotropic provirus of DBA/2 mice encodes a mutant Pr65gag protein that is not myristylated (1988) (35)
- Triplet excitation energies in the coupled cluster singles and doubles model using an explicit triplet spin coupled excitation space (2000) (35)
- Coupled hartree-fock and second order polarization propagator calculations of indirect nuclear spin-spin coupling constants for diatomic molecules (1977) (35)
- Implementation of electronic ground states and singlet and triplet excitation energies in coupled cluster theory with approximate triples corrections (2002) (34)
- Multiple stationary point representations in MC SCF calculations (1985) (34)
- A Lagrangian framework for deriving triples and quadruples corrections to the CCSD energy. (2014) (33)
- Efficient elimination of response parameters in molecular property calculations for variational and nonvariational energies. (2008) (33)
- The hyperpolarizability dispersion of neon is not anomalous (1991) (33)
- Determination of excitation energies and transition moments in a second order polarization propagator approach. Application to the Be atom and the CH+ molecule (1977) (33)
- Different relative expression from two murine leukemia virus long terminal repeats in unintegrated transfected DNA and in integrated retroviral vector proviruses (1989) (32)
- Complementation of a primer binding site-impaired murine leukemia virus-derived retroviral vector by a genetically engineered tRNA-like primer (1997) (32)
- Singlet excited states of Be2 (2000) (32)
- Direct iterative RPA calculations. Applications to ethylene, benzene and cytosine (1988) (32)
- Ground and excited state polarizabilities and dipole transition properties of benzene from coupled cluster response theory (1999) (32)
- The nuclear spin—spin coupling in N2 and CO (1993) (31)
- A presenilin-1 Thr116Asn substitution in a family with early-onset Alzheimer's disease. (1999) (31)
- An Atomic-Orbital-Based Lagrangian Approach for Calculating Geometric Gradients of Linear Response Properties (2010) (31)
- The trust-region self-consistent field method in Kohn-Sham density-functional theory. (2005) (31)
- Graduated resistance to G418 leads to differential selection of cultured mammalian cells expressing the neo gene. (1989) (30)
- Indirect nuclear spin-spin coupling constants within the coupled multiconfiguration hartree-fock approximation (1980) (30)
- Geometrical derivatives and magnetic properties in atomic-orbital density-based Hartree-Fock theory (2001) (29)
- On the divergent behavior of Møller–Plesset perturbation theory for the molecular electric dipole moment (2000) (29)
- The hyperpolarizability of the Ne atom in the approximate coupled cluster triples model CC3 (2004) (27)
- CC3 triplet excitation energies using an explicit spin coupled excitation space (2001) (27)
- Theoretical calculations of the magnetizability of some small fluorine-containing molecules using London atomic orbitals (1994) (27)
- Molecular response properties in equation of motion coupled cluster theory: A time-dependent perspective. (2016) (27)
- A nucleotide substitution in the gag N terminus of the endogenous ecotropic DBA/2 virus prevents Pr65gag myristylation and virus replication (1988) (27)
- First-order nonadiabatic coupling matrix elements from multiconfigurational self-consistent-field response theory (1992) (27)
- Gauge-origin-independent coupled cluster singles and doubles calculation of magnetic circular dichroism of azabenzenes and phosphabenzene using London orbitals. (2007) (27)
- Response theory calculations of the vibronically induced 1A1g−1B2u two-photon spectrum of benzene (1993) (26)
- Basis set convergence and correlation effects in vibrational circular dichroism calculations using London atomic orbitals (1994) (26)
- MCSCF calculations of Verdet constants (1994) (26)
- Linear response CC2 triplet excitation energies (2000) (26)
- Large scale random phase calculations for direct self-consistent field wavefunctions (1993) (26)
- Quadratic response functions in a second-order polarization propagator framework. (2005) (25)
- Origin of replication, oriC, of the Escherichia coli chromosome: Mapping of genes relative to R.EcoRI cleavage sites in the oriC region (1977) (25)
- General biorthogonal projected bases as applied to second-order Møller-Plesset perturbation theory. (2007) (25)
- Frequency-dependent polarizabilities and second hyperpolarizabilities of N2 (1993) (25)
- The divide–expand–consolidate coupled cluster scheme (2017) (24)
- Interconversion of diborane(4) isomers (1992) (24)
- A closed-shell coupled-cluster treatment of the Breit-Pauli first-order relativistic energy correction. (2004) (24)
- Two-particle, two-hole corrections to a self-consistent time-dependent Hartree—Fock scheme (1975) (23)
- Enhancer functions in U3 of Akv virus: a role for cooperativity of a tandem repeat unit and its flanking DNA sequences (1990) (23)
- Basic helix-loop-helix proteins in murine type C retrovirus transcriptional regulation (1994) (23)
- Familial Alzheimer's disease co‐segregates with a Met 146 Ile substitution in presenilin‐1 (1996) (23)
- NMR shielding tensors and indirect spin-spin coupling tensors in HCN, HNC, CH3CN, and CH3NC molecules (1995) (22)
- A perspective on the localizability of Hartree–Fock orbitals (2013) (22)
- Determination of recognition-sequences for DNA-binding proteins by a polymerase chain reaction assisted binding site selection method (BSS) using nitrocellulose immobilized DNA binding protein. (1992) (22)
- Matrix protein of Akv murine leukemia virus: genetic mapping of regions essential for particle formation (1992) (22)
- Lack of correlation between basal expression levels and susceptibility to transcriptional shutdown among single-gene murine leukemia virus vector proviruses (1994) (22)
- Brueckner coupled cluster response functions (1994) (21)
- Geometrical derivatives of dipole moments and polarizabilities (1984) (21)
- Dispersion coefficients for first hyperpolarizabilities using coupled cluster quadratic response theory (1998) (21)
- Coupled cluster calculations of Verdet constants (1997) (21)
- Accurate calculations of the dynamic dipole polarizability of N2. A multiconfigurational linear response study using restricted active space (RAS) wavefunctions (1989) (21)
- A basis set study of coupled cluster and full configuration interaction calculations of molecular electric properties for BH (1998) (20)
- Analytic ab initio calculations of coherent anti-Stokes Raman scattering (CARS). (2009) (20)
- An efficient algorithm for solving nonlinear equations with a minimal number of trial vectors: applications to atomic-orbital based coupled-cluster theory. (2008) (20)
- Molecular response properties from a Hermitian eigenvalue equation for a time-periodic Hamiltonian. (2015) (20)
- Erratum: “A full configuration interaction and coupled-cluster study of the potential-energy surfaces for the lowest singlet excited state of N2” [J. Chem. Phys. 113, 6677 (2000)] (2001) (19)
- Various modes of basic helix-loop-helix protein-mediated regulation of murine leukemia virus transcription in lymphoid cell lines (1996) (18)
- Multiconfigurational Hartree–Fock response functions (1983) (18)
- Comparison of Two Statistical Approaches to Calculate Atomic and Molecular Orbitals (1973) (18)
- Selection of configurations for SCF-CI calculations of spectral properties and comparison with TDHF calculations (1974) (18)
- Coupled‐Cluster Theory (2014) (18)
- Accurate Nonlinear Optical Properties for Small Molecules (2006) (17)
- A ground-state-directed optimization scheme for the Kohn-Sham energy. (2008) (17)
- On the convergence of perturbative coupled cluster triples expansions: error cancellations in the CCSD(T) model and the importance of amplitude relaxation. (2015) (17)
- A stepwise atomic, valence-molecular, and full-molecular optimisation of the Hartree-Fock/Kohn-Sham energy. (2009) (17)
- The equilibrium structure of trans-glyoxal from experimental rotational constants and calculated vibration–rotation interaction constants (2003) (17)
- Equation-of-motion coupled cluster perturbation theory revisited. (2014) (17)
- Triple excitation effects in coupled cluster calculations of Verdet constants (2000) (17)
- First-order relativistic corrections to response properties: the hyperpolarizability of the Ne atom (2004) (17)
- Characterization of t(12;21) breakpoint junctions in acute lymphoblastic leukemia (2001) (17)
- The hyperpolarizability of neon revisited (1993) (16)
- Comparison of standard and damped response formulations of magnetic circular dichroism. (2011) (16)
- A novel MLL-AF10 fusion mRNA variant in a patient with acute myeloid leukemia detected by a new asymmetric reverse transcription PCR method (1997) (16)
- The magnetic hyperpolarizability anisotropy of the neon atom (1992) (16)
- Accurate photodetachment cross sections for Li (1989) (16)
- Coupled-cluster calculation of dispersion contributions to interaction energies and polarizabilities (2001) (16)
- Ab initio study of the NMR shielding constants and spin-spin coupling constants in cyclopropene (1993) (16)
- Dispersion coefficients for second hyperpolarizabilities using coupled cluster cubic response theory (1999) (15)
- The Cotton-Mouton effect of neon and argon: a benchmark study using highly correlated coupled cluster wave functions. (2004) (15)
- MCSCF calculation of response properties of Argon (1995) (15)
- Variational response-function formulation of vibrational circular dichroism. (2011) (15)
- Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. I. Triples expansions. (2015) (15)
- Orbital spaces in the divide-expand-consolidate coupled cluster method. (2016) (15)
- Benzene-argon triplet intermolecular potential energy surface (2003) (15)
- Robust and Reliable Multilevel Minimization of the Kohn-Sham Energy. (2009) (15)
- The two-photon spectrum of pyrimidine. Role of vibronic coupling (1993) (15)
- MCSCF calculations of nitrogen NMR shielding constants using London atomic orbitals (1994) (14)
- The hyperpolarizability of molecular oxygen (1995) (14)
- Communication: The performance of non-iterative coupled cluster quadruples models. (2015) (13)
- Nuclear quadrupole coupling constants in NH4Cl (1999) (13)
- A correlation between dexamethasone inducibility and basal expression levels of retroviral vector proviruses. (1993) (13)
- Highly Accurate Ab Initio Computation of Thermochemical Data (2001) (13)
- Dynamic CCSD polarisabilities of CHF3 and CHCl3 (1996) (13)
- Cluster perturbation theory. I. Theoretical foundation for a coupled cluster target state and ground-state energies. (2019) (12)
- Discarding Information from Previous Iterations in an Optimal Way To Solve the Coupled Cluster Amplitude Equations. (2015) (12)
- Gauge invariance of oscillator strengths in the approximate coupled cluster triples model CC3 (2004) (12)
- A common multiple cloning site in a set of vectors for expression of eukaryotic genes in mammalian, insect and bacterial cells. (1994) (12)
- Comparison of full-configuration interaction and coupled-cluster harmonic and fundamental frequencies for BH and HF (2001) (11)
- Involvement of nuclear factor I-binding sites in control of Akv virus gene expression (1990) (11)
- Determination of transient or stable neo expression levels in mammalian cells. (1990) (11)
- Multiple sequence elements in the U3 region of the leukemogenic murine retrovirus SL3-2 contribute to cell-dependent gene expression. (1990) (11)
- Local Hartree–Fock orbitals using a three‐level optimization strategy for the energy (2013) (11)
- Restricted and complete-active-space multiconfiguration linear response calculations of the polarizability of formamide and urea (1991) (11)
- Dipole hyperpolarizability surfaces of ammonia (1993) (11)
- An ab initio nuclear magnetic resonance spectrum of vinyllithium (1994) (11)
- Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. II. Quadruples expansions. (2015) (11)
- A view on coupled cluster perturbation theory using a bivariational Lagrangian formulation. (2015) (11)
- Measurement of hygromycin B phosphotransferase activity in crude mammalian cell extracts by a simple dot-blot assay. (1992) (10)
- Pathogenicity of BALB/c-derived N-tropic murine leukemia viruses. (1990) (10)
- Radiative lifetimes of triplet spin sublevels of the azabenzenes (1994) (10)
- Massively parallel and linear-scaling algorithm for second-order Møller-Plesset perturbation theory applied to the study of supramolecular wires (2017) (10)
- An ab initio quartic force field and the fundamental frequencies ofo-benzyne (1994) (10)
- Singlet excitations and dipole polarizabilities of Li2, Li4 and Li8 clusters (2000) (10)
- Calculation of first-order one-electron properties using the coupled-cluster approximate triples model CC3 (2002) (9)
- Quartic coupled cluster force fields for the diazene isomers (1993) (9)
- The Vegard-Kaplan band and the phosphorescent decay of N2 (1994) (9)
- The same number of optimized parameters scheme for determining intermolecular interaction energies. (2015) (9)
- Frequency-dependent hyperpolarizabilities of the Ne, Ar, and Kr atoms using the approximate coupled cluster triples model CC3. (2005) (9)
- Triplet—triplet absorption spectra of alternant hydrocarbons within the grand canonical time-dependent hartree—fock approximation☆ (1973) (9)
- The second hyperpolarizability of the N2 molecule calculated using the approximate coupled cluster triples model CC3 (2005) (9)
- Generalizations of the multiconfigurational time-dependent Hartree–Fock approach (1984) (9)
- Localized orbitals from basis sets augmented with diffuse functions. (2013) (9)
- Dipole polarizability surfaces of ammonia (1990) (9)
- Calculation of ground and excited state potential energy curves of the MgAr complex using the coupled cluster approximate triples model CC3 (2002) (8)
- Cloning of soybean leghemoglobin structural gene sequences synthesized in vitro. (1979) (8)
- Cluster perturbation theory. II. Excitation energies for a coupled cluster target state. (2019) (8)
- Cluster perturbation theory. III. Perturbation series for coupled cluster singles and doubles excitation energies. (2019) (8)
- E-box variants direct formation of distinct complexes with the basic helix-loop-helix protein ALF1. (1995) (8)
- Erratum to: ``Coupled cluster calculations of Verdet constants'' [Chem. Phys. Lett. 281 (1997) 445] (1998) (8)
- Evaluation of hyperfine coupling tensors of the BeH and BeF radicals (1995) (8)
- The effect of selection for high-level vector expression on the genetic and functional stability of a single transcript vector derived from a low-leukemogenic murine retrovirus. (1995) (7)
- On the structure of the deo operon of Escherichia coli (1977) (7)
- Generalising localisation schemes of orthogonal orbitals to the localisation of non-orthogonal orbitals (2017) (7)
- Convergence patterns and rates in two-state perturbation expansions. (2019) (7)
- Configuration‐Interaction Theory (2014) (7)
- Efficient replication and expression of murine leukemia virus with major deletions in the enhancer region of U3. (1992) (6)
- A ribosomal RNA gene, rrnC, of Escherichia coli, mapped by specialized transducing λdilv and λdrbs phages (1978) (6)
- A ribosomal RNA gene of Escherichia coli (rrnD) on lamnda daro E specialized transducing phages. (1976) (6)
- Problems in quantum chemistry (1982) (6)
- Nuclear magnetic shielding tensor for the ethylenic carbon atom in tetrachlorocyclopropene (1993) (6)
- Proper characterization of MCSCF stationary points (2009) (6)
- Orbital nonrelaxed coupled cluster singles and doubles with perturbative triples corrections calculations of first-order one-electron properties (2002) (6)
- Convergence of coupled cluster perturbation theory. (2016) (6)
- NMR properties of N3−. A comparison of theory and experiment (1995) (6)
- Coupled cluster calculations of the polarizability of furan (1997) (6)
- Mammalian expression-and-transmission vector derived from Akv murine leukemia virus. (1986) (6)
- Coupled cluster investigation of Sternheimer shieldings and electric field gradient polarizabilities (2000) (6)
- Cluster perturbation theory. IV. Convergence of cluster perturbation series for energies and molecular properties. (2019) (5)
- Multiconfigurational quadratic response theory calculations of two-photon electronic transition probabilities of H2O (1993) (5)
- Lowest order corrections to excitation energies (1977) (5)
- The second-order energy contribution from the spin-orbit interaction operator to the potential energy curve of Cr2 (1992) (5)
- Estimate of the experimental static hyperpolarizability of neon based on coupled cluster response calculations (1998) (5)
- The electronic spectra of conjugated free radicals (1973) (4)
- Multiconfigurational Self‐Consistent Field Theory (2014) (4)
- MCSCF reaction-path energetics and thermal rate-constants for the reaction of3NH with H2 (1994) (4)
- Cluster perturbation theory. V. Theoretical foundation for cluster linear target states. (2019) (4)
- SCF calculations of the NMR shielding tensor for the ethylenic carbon atom in C3Cl4 (1995) (4)
- The murine leukemia virus LTR in oncogenesis: Effect of point mutations and chromosomal integration sites (1991) (4)
- The evaluation of MCRPA (MCTDHF) electronic excitation energies, oscillator strengths, and polarizabilities: Application to O2 (2009) (4)
- Calibration of the Electronic‐Structure Models (2014) (3)
- A ribosomal RNA gene ofEscherichia coli (rrnD) on λ daroE specialized transducing phages (1976) (3)
- Gaussian Basis Sets (2014) (3)
- Multiconfigurational time-dependent Hartree-Fock calculation of vertical excitation energies and transition moments of O2 (2009) (3)
- Cauchy moments of Ne, Ar, and Kr atoms calculated using the approximate coupled cluster triples model CC3 (2005) (3)
- 47 Familial Alzheimer's disease co-segregates with a MET146ILE substitution in presenilin-1 (1996) (2)
- Chapter 1 – Introduction to Second-Quantization Methods (1981) (2)
- An MuLV transmission vector system designed to permit recovery inE.Coli of proviral and cellular flanking sequences (1988) (2)
- Molecular Integral Evaluation (2014) (2)
- Hartree‐Fock Theory (2014) (2)
- The Standard Models (2014) (2)
- Chapter 5 – Physical Properties (1981) (2)
- λPJ4A, a lambda replacement vector carrying amber mutations for cloning of EcoR1 fragments (1986) (2)
- Cluster perturbation theory. VI. Ground-state energy series using the Lagrangian. (2022) (1)
- Wave Function-Based Quantum Chemistry (2004) (1)
- MCSCF Analytical Energy Derivatives Using a Response Function Approach (1986) (1)
- Publisher’s Note: “A Lagrangian, integral-density direct formulation and implementation of the analytic CCSD and CCSD(T) gradients” [J. Chem. Phys. 118, 2985 (2003)] (2003) (1)
- Atomic Basis Functions (2014) (1)
- Ab initio potential energy function and geometry of the à state of ammonia (1992) (1)
- Chapter 6 – Green's Functions (1981) (1)
- lambda PJ4A, a lambda replacement vector carrying amber mutations for cloning of EcoRI fragments. (1986) (1)
- The nucleotide sequence of the 3' region of the murine leukemia virus SL16c4. (1989) (1)
- Tagging the genome of the murine leukemia retrovirus SL3-3 by a bacterial lac operator sequence. (1991) (1)
- A ribosomal RNA gene, rrnC, of Escherichia coli, mapped by specialized transducing lambdadilv and lambda drbs phages. (1978) (1)
- DNA Recognition Sequence Determination Directly on Plaques of a λ-Expressed Recombinant DNA Binding Protein (1994) (1)
- Review of algebraic and diagrammatic methods in many-fermion theory. By Frank E. Harris, Hendrik J. Monkhorst, and David L. Freeman, Oxford University Press, Inc., New York, 1992 (1992) (0)
- Cluster perturbation theory. VIII. First order properties for a coupled cluster state. (2022) (0)
- Exact and Approximate Wave Functions (2014) (0)
- Chapter 4 – The Coupled-Cluster Method (1981) (0)
- DNA recognition sequence determination directly on plaques of a lambda expressed recombinant DNA binding protein. (1994) (0)
- Chapter 3 – Perturbation Theory (1981) (0)
- Establishment of Latent Infection a Gammaherpesvirus Facilitates Evasion of Innate Cytosolic DNA Sensing by (0)
- Transcriptional Control by Retroviral LTR Regions (1989) (0)
- Self-consistent field methods applied to large molecular systems (2006) (0)
- List of Acronyms (2014) (0)
- DALTON2011 Program Manual (2011) (0)
- Cluster perturbation theory. VII. The convergence of cluster perturbation expansions. (2022) (0)
- Trends in Quantum Chemistry A meeting on the future purposes and methods (2008) (0)
- Massively parallel GPU enabled third-order cluster perturbation excitation energies for cost-effective large scale excitation energy calculations. (2023) (0)
- Chapter 2 – Energy and Wavefunction Optimization Methods (1981) (0)
- Short‐Range Interactions and Orbital Expansions (2014) (0)
- polymerase chain reaction assisted binding site selection method (BSS) using nitrocellulose immobilized DNA binding protein (0)
- Chem. Phys. Lett. 294 1998 45 (1999) (0)
- Spin in Second Quantization (2014) (0)
- ALF1, a basic helix-loop-helix transcription factor, maps to mouse Chromosome 9 (1996) (0)
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