Andreas Savin
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Andreas Savin's Degrees
- Masters Mathematics University of Oxford
- Bachelors Mathematics University of Oxford
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(Suggest an Edit or Addition)Andreas Savin'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
- Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr (1989) (5308)
- Classification of chemical bonds based on topological analysis of electron localization functions (1994) (2671)
- ELF: The Electron Localization Function (1997) (1480)
- Energy-adjusted pseudopotentials for the rare earth elements (1989) (807)
- Electron Localization in Solid‐State Structures of the Elements: the Diamond Structure (1992) (758)
- Combining long-range configuration interaction with short-range density functionals (1997) (576)
- A New Look at Electron Localization (1991) (471)
- Topological analysis of the electron localization function applied to delocalized bonds (1996) (449)
- Long-range/short-range separation of the electron-electron interaction in density functional theory (2004) (338)
- On degeneracy, near-degeneracy and density functional theory (1996) (292)
- van der Waals forces in density functional theory: Perturbational long-range electron-interaction corrections (2005) (253)
- Density functionals for the Yukawa electron-electron interaction (1995) (250)
- Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation. (2008) (198)
- Atomic Shell Structure and Electron Numbers (1996) (178)
- Double-hybrid density-functional theory made rigorous. (2010) (158)
- A Systematic Failing of Current Density Functionals: Overestimation of Two-Center Three-Electron Bonding Energies (1998) (155)
- The importance of middle-range Hartree-Fock-type exchange for hybrid density functionals. (2007) (142)
- Relationship of Kohn-Sham eigenvalues to excitation energies (1998) (137)
- Combining multideterminantal wave functions with density functionals to handle near-degeneracy in atoms and molecules (2002) (133)
- Assessment of a Middle-Range Hybrid Functional. (2008) (132)
- Strictly correlated electrons in density-functional theory: A general formulation with applications to spherical densities (2007) (132)
- A short-range gradient-corrected spin density functional in combination with long-range coupled-cluster methods: Application to alkali-metal rare-gas dimers (2006) (131)
- On the Bonding in Carbosilanes (1992) (124)
- The electron localization function (ELF) and its relatives : interpretations and difficulties (2005) (123)
- A correlation-energy density functional for multideterminantal wavefunctions (1997) (119)
- Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions. (2014) (118)
- Short-range exchange and correlation energy density functionals: beyond the local-density approximation. (2004) (114)
- Analysis of the delocalization in the topological theory of chemical bond (1998) (112)
- Hybrid functionals with local range separation. (2008) (110)
- Short-Range Exchange-Correlation Energy of a Uniform Electron Gas with Modified Electron-Electron Interaction (2004) (105)
- Construction of An Accurate Self-interaction-corrected Correlation Energy Functional Based on An Electron Gas with A Gap (1999) (104)
- Range-separated density-functional theory with the random-phase approximation: Detailed formalism and illustrative applications (2010) (100)
- Correlation energies for some two- and four-electron systems along the adiabatic connection in density functional theory (1999) (94)
- On-Top Pair-Density Interpretation of Spin Density Functional Theory, with Applications to Magnetism (1997) (94)
- Contribution to the electron distribution analysis. I. Shell structure of atoms (1991) (91)
- Closed-shell ring coupled cluster doubles theory with range separation applied on weak intermolecular interactions. (2011) (86)
- Extension of the local-spin-density exchange-correlation approximation to multiplet states (1995) (84)
- Adiabatic connection approach to density functional theory of electronic systems (2003) (82)
- Influence of core–valence separation of electron localization function (1997) (82)
- Six questions on topology in theoretical chemistry (2015) (81)
- Density Functionals for Correlation Energies of Atoms and Molecules (1985) (80)
- Singly ionized first‐row dimers and hydrides calculated with the fully‐numerical density‐functional program numol (1992) (79)
- Virtual space level shifting and correlation energies (1998) (77)
- Prediction uncertainty of density functional approximations for properties of crystals with cubic symmetry. (2015) (75)
- How electrons guard the space: shape optimization with probability distribution criteria (2004) (73)
- A multiconfigurational hybrid density-functional theory. (2012) (70)
- Validation and assessment of an accurate approach to the correlation problem in density functional theory: The Kriger–Chen–Iafrate–Savin model (2002) (66)
- The ELF Perspective of chemical bonding (2014) (65)
- TOPOLOGICAL BIFURCATION ANALYSIS : ELECTRONIC STRUCTURE OF CH5+ (1997) (65)
- Localization of Electrons in Intermetallic Phases Containing Aluminum (1994) (63)
- How Malonaldehyde Bonds Change during Proton Transfer (1998) (62)
- A combined density functional and configuration interaction method (1988) (61)
- The Electron Localization Function (ELF) Description of the PO Bond in Phosphine Oxide (1999) (58)
- On the significance of ELF basins (2005) (56)
- Fragment-Localized Kohn-Sham Orbitals via a Singles Configuration-Interaction Procedure and Application to Local Properties and Intermolecular Energy Decomposition Analysis. (2008) (54)
- An application of correlation energy density functionals to atoms and molecules (1986) (53)
- Beyond the Kohn–Sham Determinant (1995) (53)
- Properties of short-range and long-range correlation energy density functionals from electron-electron coalescence (2005) (50)
- On the bonding of small group 12 clusters (1999) (49)
- Maximum probability domains from Quantum Monte Carlo calculations (2007) (46)
- A short-range correlation energy density functional with multi-determinantal reference (2005) (45)
- On choosing the best density functional approximation (2012) (45)
- Electron probability distribution in AIM and ELF basins (2003) (41)
- Is size-consistency possible with density functional approximations? (2009) (41)
- Analytic models of domain-averaged Fermi holes: a new tool for the study of the nature of chemical bonds. (2008) (37)
- Exchange–Correlation Functionals via Local Interpolation along the Adiabatic Connection (2016) (35)
- Simple model for the spherically and system-averaged pair density: Results for two-electron atoms (2004) (34)
- Study of the discontinuity of the exchange-correlation potential in an exactly soluble case (2008) (34)
- Exchange‐correlation energies and correlation holes for some two‐ and four‐electron atoms along a nonlinear adiabatic connection in density functional theory (2003) (32)
- Probabilistic performance estimators for computational chemistry methods: The empirical cumulative distribution function of absolute errors. (2018) (32)
- ELECTRON LOCALIZATION IN SOLID-STATE STRUCTURES OF THE ELEMENTS : THE ELEMENTS : THE DIAMOND STRUCTURE (1992) (31)
- Maximal probability domains in linear molecules (2005) (30)
- The analysis of “empty space” in the PdGa5 structure (1997) (29)
- Bonding Analysis of Hydrogenated Lithium Clusters Using the Electron Localization Function (2001) (29)
- Constrained-pairing mean-field theory. III. Inclusion of density functional exchange and correlation effects via alternative densities. (2010) (28)
- Analysis of the linear response function along the adiabatic connection from the Kohn–Sham to the correlated system (2001) (28)
- Hohenberg–Kohn theory including spin magnetism and magnetic fields (2004) (28)
- Comparative study of spectroscopic properties of some indium, tin and antimony compounds (1989) (26)
- Locally range‐separated hybrids as linear combinations of range‐separated local hybrids (2009) (25)
- System-adapted correlation energy density functionals from effective pair interactions (2005) (24)
- A view of covalent and ionic bonding from Maximum Probability Domains (2015) (23)
- Local density approximation for long-range or for short-range energy functionals? (2006) (23)
- Phase transition in iodine: a chemical picture (2004) (23)
- PROBABILITY DISTRIBUTIONS AND VALENCE SHELLS IN ATOMS (2002) (23)
- Curing basis-set convergence of wave-function theory using density-functional theory: A systematically improvable approach. (2018) (22)
- Atoms and bonds in molecules and chemical explanations (2014) (21)
- Electronic excitations from a linear-response range-separated hybrid scheme (2013) (20)
- The Bond Analysis Techniques (ELF and Maximum Probability Domains) Application to a Family of Models Relevant to Bio-Inorganic Chemistry (2013) (20)
- Degeneracy and size consistency in electronic density functional theory (2008) (20)
- Correlation contributions to first ionization potentials of first-row atoms, hydrides and dimers obtained with gradient corrected GGA91 density functionals (1992) (19)
- Correlation energy contributions from low‐lying states to density functionals based on an electron gas with a gap (1999) (18)
- Extrapolating the correlation energy (1999) (18)
- Maximum probability domains in crystals: the rock-salt structure. (2011) (18)
- Scaling relations, virial theorem, and energy densities for long-range and short-range density functionals (2006) (18)
- Electronic Structure and Bonding of the Ground State of Alkaline-Earth-Metal Monoxides and Carbides (2000) (18)
- Constrained-pairing mean-field theory. IV. Inclusion of corresponding pair constraints and connection to unrestricted Hartree-Fock theory. (2010) (18)
- The correlated electron density of the Li atom — a test for density functionals and semi-empirical pseudopotentials (1982) (17)
- Relativistic effects on the contribution of the local-spin-density correlation energy to ionization potentials (1983) (16)
- DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science (2022) (16)
- Quantum Monte Carlo Calculations with Multi-Reference Trial Wave Functions (1997) (16)
- Orbital spaces and density-functional theory (2007) (16)
- Orbital-Free Embedding Effective Potential in Analytically Solvable Cases (2009) (16)
- Impact of non-normal error distributions on the benchmarking and ranking of quantum machine learning models (2020) (15)
- An ab initio investigation of the molecules X2, CuX, Cu2X and CuX2 (X = Si, Ge, and Sn) (1995) (15)
- Excitation energies along a range-separated adiabatic connection. (2014) (15)
- Intracule densities in the strong-interaction limit of density functional theory. (2008) (14)
- A new Jastrow factor for atoms and molecules, using two‐electron systems as a guiding principle (1995) (14)
- Molecular Correlation Energies Obtained with a Nonlocal Density Functional (1984) (14)
- A test for the Wilson-Levy correlation energy functional (1994) (14)
- Pseudopotential calculations on alkali silicide clusters with Si2 and tetrahedral Si4 backbones (1988) (13)
- Charge density reconstitution from approximate exchange-correlation holes (2009) (13)
- Understanding Maximum Probability Domains with Simple Models (2012) (13)
- Probabilistic performance estimators for computational chemistry methods: Systematic improvement probability and ranking probability matrix. I. Theory. (2020) (13)
- The Nature of Silicon-oxygen Bonds in Silica Polymorphs (1997) (12)
- Calculating excitation energies by extrapolation along adiabatic connections (2015) (12)
- Judging Density-Functional Approximations: Some Pitfalls of Statistics (2014) (12)
- Maximum Probability Domains in the Solid-State Structures of the Elements: the Diamond Structure (2011) (11)
- Are Unoccupied Kohn-Sham Eigenvalues Related to Excitation Energies? (1998) (11)
- Bounding the extrapolated correlation energy using Padé approximants (2000) (11)
- Correcting model energies by numerically integrating along an adiabatic connection and a link to density functional approximations. (2011) (10)
- Towards a systematic way to correct density functional approximations. (2014) (10)
- Correlation contributions from density functionals (1991) (10)
- GENERATION AND CHARACTERIZATION OF DIPHOSPHENE AND TRIPHOSPHENE RADICAL ANIONS. COMPUTATIONAL STUDIES ON THE STRUCTURE AND STABILITY OF P3H3. (1996) (10)
- Reduction of the computational effort in quantum Monte Carlo calculations with pseudopotentials through a change of the projection operators (1992) (9)
- A systematic study on the fixed-node and localization error in quantum Monte Carlo calculations with pseudopotentials for group III elements (1994) (9)
- Coupled-cluster calculations using local potentials (2002) (9)
- Bonding in Carbosilanes. (2010) (9)
- Models and corrections: Range separation for electronic interaction-Lessons from density functional theory. (2020) (9)
- Non-Additive Kinetic Energy and Potential in Analytically Solvable Systems and Their Approximated Counterparts (2013) (9)
- Electronic Excitation Energies of Molecular Systems from the Bethe–Salpeter Equation: Example of the H2 Molecule (2013) (9)
- THE CORRELATED ELECTRON DENSITY OF ALKALI ATOMS: PSEUDOPOTENTIAL AND DENSITY-FUNCTIONAL RESULTS (1983) (8)
- Changes in l-shell correlation energies with a combined density functional and configuration interaction method (1989) (8)
- Smooth models for the Coulomb potential (2016) (8)
- Alternative representations of the correlation energy in density-functional theory: a kinetic-energy based adiabatic connection (2016) (8)
- Influence of core-valence separation of electron localization function (1997) (7)
- Range separation combined with the Overhauser model: application to the H2 molecule along the dissociation curve (2008) (7)
- Correlation energy per particle from the coupling-constant integration (2003) (7)
- Excited states from range-separated density-functional perturbation theory (2014) (7)
- PSEUDOPOTENTIAL PERIODIC HARTREE-FOCK STUDY OF K8IN11 AND RB8IN11 SYSTEMS (1995) (6)
- On the Use of Benchmarks for Multiple Properties (2016) (6)
- Probabilistic performance estimators for computational chemistry methods: Systematic improvement probability and ranking probability matrix. II. Applications. (2020) (6)
- Kohn-Sham calculations combined with an average pair-density functional theory (2006) (5)
- When does a functional correctly describe both the structure and the energy of the transition state? (2017) (5)
- Using the Gini coefficient to characterize the shape of computational chemistry error distributions (2020) (4)
- Pair Correlation Energies and Local Spin-Density Functionals (1984) (4)
- High-Density Limit of Two-Electron Systems: Results from the Extended Overhauser Approach. (2007) (4)
- Adiabatic Coupling in the Helium and the Beryllium Series (1998) (4)
- Contribution to the electron distribution analysis (1999) (4)
- Pseudopotential investigations on the molecules Cu2Si2, Cu2Sn2, Cu4Si4, and Cu4Sn4 (1990) (4)
- Excitation energies from Görling–Levy perturbation theory along the range-separated adiabatic connection (2017) (3)
- Maximum probability domains for the analysis of the microscopic structure of liquids. (2014) (3)
- Potential-Driven Adiabatic Connection in Density Functional Theory. (2009) (3)
- Local exchange-correlation energy density functional for monotonically decaying spherical densities ☆ (2000) (3)
- Erratum: "Probabilistic performance estimators for computational chemistry methods: The empirical cumulative distribution function of absolute errors" [J. Chem. Phys. 148, 241707 (2018)]. (2019) (2)
- Absence of proof for the Hohenberg–Kohn theorem for a Hamiltonian linear in the magnetic field (2017) (2)
- Challenges for large scale simulation: general discussion. (2020) (2)
- Spooky correlations and unusual van der Waals forces between gapless and near-gapless molecules. (2016) (2)
- Acknowledging User Requirements for Accuracy in Computational Chemistry Benchmarks (2020) (2)
- Full configuration interaction wave function as a formal solution to the optimized effective potential and Kohn–Sham models in finite basis sets (2009) (2)
- The Electron Localization Function (ELF) in closo Boron Clusters (1993) (2)
- Non-Local Effects on Atomic and Molecular Correlation Energies Studied with A Gradient-Corrected Density Functional (1987) (2)
- Symmetry breaking of relativistic multiconfiguration methods in the nonrelativistic limit (2009) (1)
- Two-particle coalescence conditions revisited (2022) (1)
- Strong correlation in density functional theory: general discussion. (2020) (1)
- Concluding remarks for the new horizons in density functional theory Faraday Discussion. (2020) (1)
- DFT description of van der Waals forces with explicit long-range interactions (2005) (1)
- The role of middle-range Hartree-Fock-type exchange in hybrid functionals (2008) (1)
- New approaches to study excited states in density functional theory: general discussion. (2020) (1)
- Corrigendum: Impact of non-normal error distributions on the benchmarking and ranking of quantum machine learning models (2020 Mach. Learn.: Sci. Technol. 1 035011) (2020) (1)
- Range-separated adiabatic-connection fluctuation-dissipation density functional theory (2008) (1)
- New density-functional approximations and beyond: general discussion. (2020) (1)
- The effect of uncertainty on building blocks in molecules. (2022) (1)
- A spectral analysis of the correlation energy (2000) (1)
- Range-separated density-functional theory applied to the beryllium dimer and trimer (2018) (1)
- Should We Gain Confidence from the Similarity of Results between Methods? (2022) (1)
- Electron density maps with a difference (1991) (0)
- On connecting density functional approximations to theory. (2020) (0)
- Limits of the concept of reactivity (2014) (0)
- Stories About Walter (2003) (0)
- Chapter 10 Understanding Maximum Probability Domains with Simple Models (2011) (0)
- An Introduction to the Electron Localization Function (2009) (0)
- Atoms and bonds in molecules and chemical explanations (2013) (0)
- Spherically and system-averaged pair densities in the strong-interaction limit of density functional theory (2008) (0)
- Was Pauling Mistaken about Metals? (2021) (0)
- Correcting Models with Long-Range Electron Interaction Using Generalized Cusp Conditions. (2023) (0)
- What is the number of electrons in a spatial domain? (2022) (0)
- Rebolini, Elisa and Toulouse, Julien and Teale, Andrew M. and Helgaker, Trygve and Savin, Andreas (2015) Excited states from range-separated density-functional perturbation (2016) (0)
- Foreword (2017) (0)
- FLEIM: A stable, accurate and robust extrapolation method at infinity for computing the ground state of electronic Hamiltonians (2021) (0)
- Correlation Energy Contributions from Low-lying States to Density Functionals in the KLI Approximation (2001) (0)
- A new look at electron localization. ; Section Title: General Physical Chemistry (2013) (0)
- Ju l 2 00 6 Model hamiltonians in density functional theory (2006) (0)
- Model hamiltonians in density functional theory (2006) (0)
- Pseudopotential Periodic Hartree-Fock Study of & In 11 and RbsInll Systems (1995) (0)
- (Na×Triglyme)2(S(BH3)4): A Salt of the New Anion Tetrakis(borane) sulfate(2‐). Crystal Structure and Theoretical Investigation of the Structure. (1993) (0)
- Numerical integration along the adiabatic connection (2010) (0)
- Erratum: Probabilistic performance estimators for computational chemistry methods: Systematic improvement probability and ranking probability matrix. I. Theory [J. Chem. Phys. 152, 164108 (2020)]. (2020) (0)
- An Introduction to the Electron Localization Function , ELF (2008) (0)
- Synthesis and Vibrational Spectroscopic Investigation of (H3B-Se-Se- BH3)2- and (H3B-μ2-Se(B2H5))-. Crystal Structure and Theoretical Investigation of the Molecular Structure of (H3B-μ2-Se(B2H5))-. (2010) (0)
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What Schools Are Affiliated With Andreas Savin?
Andreas Savin is affiliated with the following schools:
