Clemens C. J. Roothaan

Clemens C. J. Roothaan's AcademicInfluence.com Rankings

Physics

#1445

World Rank

#2221

Historical Rank

physics Degrees

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Physics

Clemens C. J. Roothaan's Degrees

PhD Physics University of Chicago
Bachelors Physics University of Amsterdam

Why Is Clemens C. J. Roothaan Influential?

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According to Wikipedia, Clemens C. J. Roothaan was a Dutch physicist and chemist known for his development of the self-consistent field theory of molecular structure. Biography Roothaan was born in Nijmegen. He enrolled TU Delft in 1935 to study electrical engineering. During World War II he was first detained in a prisoner of war camp. Later he and his brother were sent to the Vught concentration camp for involvement with the Dutch Resistance. On September 5, 1944, the remaining prisoners of the camp were moved to the Sachsenhausen camp in Germany ahead of the advancing Allies. Near the end of the war, the Sachsenhausen inmates were sent on a death march which Roothaan's brother did not survive.

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Clemens C. J. Roothaan'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

New Developments in Molecular Orbital Theory (1951) (4283)
Self-Consistent Field Theory for Open Shells of Electronic Systems (1960) (1573)
A Study of Two‐Center Integrals Useful in Calculations on Molecular Structure. I (1951) (643)
Accurate Electronic Wave Functions for the H 2 Molecule (1960) (558)
Electric Dipole Polarizability of Atoms by the Hartree—Fock Method. I. Theory for Closed‐Shell Systems (1965) (541)
ANALYTICAL SELF-CONSISTENT FIELD FUNCTIONS FOR THE ATOMIC CONFIGURATIONS 1s$sup 2$, 1s$sup 2$2s, AND 1s$sup 2$2s$sup 2$ (1960) (291)
ACCURATE ANALYTICAL SELF-CONSISTENT FIELD FUNCTIONS FOR ATOMS. II. LOWEST CONFIGURATIONS OF THE NEUTRAL FIRST ROW ATOMS (1962) (205)
Study of Two-Center Integrals Useful in Calculations on Molecular Structure. V. General Methods for Diatomic Integrals Applicable to Digital Computers (1964) (168)
Correlated Orbitals for the Ground State of the Hydrogen Molecule (1960) (144)
Study of Two‐Center Integrals Useful in Calculations on Molecular Structure. III. A Unified Treatment of the Hybrid, Coulomb, and One‐Electron Integrals (1956) (122)
Multi-Configuration Self-Consistent-Field Theory*) (1967) (116)
The twisting frequency and the barrier height for free rotation in ethylene. (1947) (115)
Hartree‐Fock Wavefunctions of Nominal Accuracy for He through Rb+ Calculated by the Expansion Method (1972) (88)
Molecular Orbital Treatment of the Ultraviolet Spectra of Benzene and Borazole (1948) (82)
Accurate Analytical Self-Consistent Field Functions for Atoms. III. The 1s 2 2s m 2p n States of Nitrogen and Oxygen and Their Ions (1963) (79)
Study of Two‐Center Integrals Useful in Calculations on Molecular Structure. IV. The Auxiliary Functions Cαβγδε(ρa,ρb) for α≥0 (1956) (52)
RECURSIVE EVALUATION OF SOME ATOMIC INTEGRALS. (1967) (43)
BROKEN BOTTLENECKS AND THE FUTURE OF MOLECULAR QUANTUM MECHANICS. (1959) (41)
ATOMIC SELF-CONSISTENT FIELD CALCULATIONS BY THE EXPANSION METHOD (1962) (33)
Visualization of electron correlation in ground states of He and H (1978) (31)
Accurate and stable numerical Hartree–Fock calculations for atoms. I. The 1s2 ground state of H−, He, Li+, and Be++ (1979) (28)
Calculations of the Lower Excited Levels of Benzene (1949) (25)
Errata: A Study of Two‐Center Integrals Useful in Calculations on Molecular Structure. I, II (1954) (18)
General quadratically convergent multiconfiguration self-consistent-field theory in terms of reduced matrix elements (1983) (13)
Accurate Analytical Self-Consistent-Field Functions for Atoms. VIII. The Ground States of K + , K, and Ca (1964) (13)
Calculation of Relativistic Effects in Atoms and Molecules from the Schrödinger Wave Function (1983) (11)
TECHNICAL REPORT 1965 (1965) (10)
TECHNICAL REPORT, 1966. (1966) (10)
An improved MCSCF method (2009) (8)
CALCULATION OF 3N-J SYMBOLS BY LABARTHE'S METHOD (1997) (8)
Evaluation of Molecular Integrals by Digital Computer (1958) (5)
My life as a physicist: memories and perspectives (1991) (4)
New algorithms for calculating 3n‐j symbols (1993) (4)
EXCITED-STATE WAVE FUNCTION RESEARCH. (1963) (2)
On the Computation of log Z and arc tan Z (1956) (2)
The general MCSCF method with full symmetry reduction (1991) (2)
Proceedings of the International Symposium on Atomic, Molecular, and Condensed Matter Theory and Computational Methods, held at St. Augustine, Florida, March 13-20, 1993 (1993) (0)
CORRELATED ORBITALS FOR HELIUM-LIKE $SYSTEMS^{*}$ (1958) (0)
A NEW MCSCF METHOD (1979) (0)
SIMPLE WAVE FUNCTIONS FOR FIRST-ROW ATOMS AND IONS (1956) (0)
CORRELATED WAVE FUNCTION FOR THE GROUND STATE OF THE HYDROGEN $MOLECULE^{*}$ (1958) (0)
Laboratory of Molecular Structure and Spectral Technical rept 1969-1970 (1970) (0)
Procedures and floating point arithmetic unit with a logic for a quadruple-precision arithmetic (1995) (0)
SURVEY OF WAVE FUNCTIONS FOR TWO-ELECTRON SYSTEMS (1959) (0)
QUANTUM MECHANICAL CALCULATION OF LIGHT METAL DIATOMIC HYDRIDES, OXIDES, AND HALIDES (1967) (0)
Proceedings of the International Symposium on Atomic, Molecular, and Condensed Matter Theory and Computational Methods, held at Ponte Vedra Beach, Florida, February 12-19, 1994 (1994) (0)
EVALUATION OF TWO-CENTER INTEGRALS (1954) (0)
ACCURATE THEORETICAL RESULTS FOR THE GROUND STATE OF THE HYDROGEN MOLECULE (1962) (0)

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Clemens C. J. Roothaan's Academic­Influence.com Rankings