Error of Expectation Values from the MC SCF Theory

<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>1</mml:mn><mml:mi /><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi>S</mml:mi></mml:mrow><mml:mprescripts /><mml:mrow /><mml:mrow><mml:mn>1</mml:mn></mml:mrow><mml:mrow /><mml:mrow /></mml:mmultiscripts></mml:mrow></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>2</mml:mn><mml:mi /><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi>S</mml:mi></mml:mrow><mml:mprescripts /><…

1959 • 744 citations

The exact calculation of long-range forces between atoms by perturbation theory

1955 • 726 citations

Many-Electron Theory of Atoms and Molecules. I. Shells, Electron Pairs vs Many-Electron Correlations

1962 • 523 citations

Scaling problem, virial theorem, and connected relations in quantum mechanics

1959 • 502 citations

Many-Body Perturbation Theory Applied to Atoms

1964 • 492 citations

Self-consistent field, including exchange and superposition of configurations, with some results for oxygen

1939 • 244 citations

Theory of Atomic Structure Including Electron Correlation. I. Three Kinds of Correlation in Ground and Excited Configurations

1969 • 222 citations

Many-Electron Theory of Atoms and Molecules. II

1962 • 182 citations

On the perturbation theory of small disturbances

1956 • 163 citations

Modern quantum chemistry : Istanbul lectures

1965 • 158 citations

The stability of a wavefunction under a perturbation

1961 • 125 citations

Electric-Dipole Polarizability of Atoms by the Hartree—Fock Method. II. The Isoelectronic Two- and Four-Electron Series

1965 • 121 citations

The polarizability of the helium atom and the lithium ion

1930 • 117 citations

The electrostatic calculation of molecular energies - I. Methods of calculating molecular energies

1954 • 111 citations

Electrostatic Polarizability and Shielding Factors for Ions of Neon Configuration

1967 • 104 citations

Atomic Multiconfiguration Self-Consistent-Field Wavefunctions

1969 • 98 citations

Hartree-Fock Equations with a Perturbing Field

1960 • 91 citations

Improvement of Uncoupled Hartree—Fock Expectation Values for Physical Properties

1966 • 87 citations

Theory of Atomic Structure Including Electron Correlation

1968 • 82 citations

On Errors in Hartree—Fock Calculations

1963 • 82 citations

Electrical Polarizabilities of Rare Gas Atoms by the Hartree-Fock Wave Functions

1959 • 75 citations

Electric Dipole Polarizability of Atoms by the Hartree—Fock Method. III. The Isoelectronic 10-Electron Series

1966 • 74 citations

Improvement of Uncoupled Hartree-Fock Expectation Values for Physical Properties. II

1967 • 70 citations

Electrostatic Polarizability and Shielding Factors for Ions of Argon Configuration

1967 • 69 citations

Self-Consistent Perturbation Method. I. Calculation of Dipole Polarizability and Shielding Factor

1966 • 66 citations

Quantum Theory of Atoms and Molecules

1964 • 59 citations

Self-Consistent Perturbation. II. Calculation of Quadrupole Polarizability and Shielding Factor

1966 • 53 citations

Geometry and barriers to internal rotation in Hartree-Fock theory

1968 • 42 citations

Two-Electron Atoms. IV. Some Sixth-Order Expectation Values

1964 • 42 citations

The two-configuration approximation for four-electron ions

1961 • 41 citations

Error Bounds for Expectation Values: Some Applications and Extensions

1967 • 37 citations

Accuracy of Calculated Atomic and Molecular Properties

1964 • 31 citations

Hellmann–Feynman Theorem for Multiconfiguration Self-Consistent Field Theory and Correlation Energy

1969 • 23 citations

Cited By (0)

Loading...