Back to search

Double Configuration Self-Consistent Field Study of the Πu1, 3Πu, 1Πg and Πg3 States of H2

Data up to Jan 2025

Published1969
Citations42
References41

Total Citations Per Year

Abstract

References (41)

Über die Zuordnung von Wellenfunktionen und Eigenwerten zu den Einzelnen Elektronen Eines Atoms

1934 • 6,923 citations

Spectra of diatomic molecules

1950 • 5,975 citations

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

Diatomic Molecules According to the Wave Mechanics. II. Vibrational Levels

1929 • 3,891 citations

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

The Energy Levels of a Rotating Vibrator

1932 • 1,857 citations

Potential-Energy Curves for the X 1Σg+, b3Σu+, and C 1Πu States of the Hydrogen Molecule

1965 • 1,371 citations

Zur Berechnung von Potentialkurven f�r zweiatomige Molek�le mit Hilfe von Spektraltermen

1932 • 698 citations

Natural Orbitals in the Quantum Theory of Two-Electron Systems

1956 • 648 citations

The calculation of potential-energy curves from band-spectroscopic data

1947 • 639 citations

Extended Hartree—Fock Wavefunctions: Optimized Valence Configurations for H2 and Li2, Optimized Double Configurations for F2

1966 • 422 citations

Superposition of Configurations and Natural Spin Orbitals. Applications to the He Problem

1959 • 305 citations

Über einige Potentialkurven des Quecksilberhydrids

1933 • 302 citations

The molecular spectrum of hydrogen and its isotopes

1958 • 254 citations

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

1939 • 244 citations

Analytic Self-Consistent Field Wavefunctions and Computed Properties for Homonuclear Diatomic Molecules

1964 • 226 citations

Ground state of hydrogen by the Rydberg-Kelein-Rees method

1959 • 221 citations

Study of Two-Center Integrals Useful in Calculations on Molecular Structure. V. General Methods for Diatomic Integrals Applicable to Digital Computers

1964 • 201 citations

The Rydberg States of Molecules. VI. Potential Curves and Dissociation Behavior of (Rydberg and Other) Diatomic States1

1966 • 186 citations

Rare-Gas and Hydrogen Molecule Electronic States, Noncrossing Rule, and Recombination of Electrons with Rare-Gas and Hydrogen Ions

1964 • 175 citations

Correlation Energy in Atomic Systems. IV. Degeneracy Effects

1966 • 169 citations

Complete multi-configuration self-consistent field theory

1967 • 164 citations

Natural Expansion of Exact Wavefunctions. II. The Hydrogen-Molecule Ground State

1962 • 132 citations

Extended Hartree—Fock Ground-State Wavefunctions for the Lithium Molecule

1967 • 131 citations

Natural Spin Orbital Analysis of Hydrogen Molecule Wave Functions

1959 • 111 citations

Natural Orbitals for Hydrogen-Molecule Excited States

1966 • 101 citations

Study of the Electronic Structure of Molecules. I. Molecular Wavefunctions and Their Analysis

1967 • 101 citations

Absorption Spectra of H2 in the Vacuum Ultraviolet Region. II. The B′—X, B″—X, D—X, and D′—X Bands

1964 • 96 citations

On the Recalculation of the Potential Curves for the Ground States of I2 and H2

1963 • 91 citations

Absorption Spectra of H2 in the Vacuum‐Ultraviolet Region. III. Potential‐Energy Curves for the B 1Σu+, C 1Πu, B′ 1Σu+, and D 1Πu States

1965 • 80 citations

Born Inelastic Differential Cross Sections in H2

1967 • 72 citations

Extended Hartree—Fock Wavefunctions: General Theory of Optimized-Valence Configurations and Its Application to Diatomic Molecules

1967 • 70 citations

On the Calculation of Potential Curves by the Rydberg—Klein—Rees Method. I. Experimental Limitations, Extrapolation Procedures, and Applications to the Third-Group Hydrides

1965 • 58 citations

Some Excited States of the Hydrogen Molecule. I. 1Πu(1s2pΠ) and 3Πu(1s2pΠ)

1964 • 55 citations

Recent progress beyond the hartree-fock method for diatomic molecules: The method of optimized valence configurations

2009 • 48 citations

Orbital Self-Consistent-Field Theory. I. General Theory for Multiconfigurational Wave Functions

1967 • 44 citations

Hydrogen-Molecule Excited States: 1Πu

1966 • 44 citations

The two-configuration approximation for four-electron ions

1961 • 41 citations

1s3d 3Πg State of the Hydrogen Molecule

1965 • 30 citations

Single-Center Calculations on the Lowest-Lying Πu and Πg Excited States of H2

1966 • 14 citations

Spatial Correlation and Molecular Properties in Extended Hartree—Fock Calculations

1967 • 8 citations

Cited By (0)

Loading...
Double Configuration Self-Consistent Field Study of the Πu1, 3Πu, 1Πg and Πg3 States of H2 (1969) – The Journal of Chemical Physics | Metascience Observatory Explorer