Multistructure Valence-Bond and Atoms-in-Molecules Calculations for LiF, F2, and F2−
Data up to Jan 2025
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Abstract
References (38)
Quantum Theory of Many-Particle Systems. I. Physical Interpretations by Means of Density Matrices, Natural Spin-Orbitals, and Convergence Problems in the Method of Configurational Interaction
1955 • 3,424 citations
Methods in Computational Physics
1964 • 2,231 citations
Structural chemistry and molecular biology
1968 • 1,698 citations
Potential Energy Surface for H3
1964 • 665 citations
Accurate Adiabatic Treatment of the Ground State of the Hydrogen Molecule
1964 • 638 citations
A Method of Diatomics in Molecules. I. General Theory and Application to H2O
1963 • 567 citations
Extended Hartree—Fock Wavefunctions: Optimized Valence Configurations for H2 and Li2, Optimized Double Configurations for F2
1966 • 422 citations
A New Method of Drawing the Potential Energy Surface
1955 • 305 citations
Atomic Negative Ions
1964 • 260 citations
The Mechanism of Reactions Involving Excited Electronic States The Gaseous Reactions of the Alkali Metals and Halogens
1940 • 244 citations
Analytic Self-Consistent Field Wavefunctions and Computed Properties for Homonuclear Diatomic Molecules
1964 • 226 citations
The Dissociation Energies of Gaseous Alkali Halides.
1961 • 220 citations
Atoms in molecules and crystals
1951 • 219 citations
Algorithm for Diagonalization of Large Matrices
1965 • 178 citations
Electron Affinities of Some Halogen Molecules and the Charge-Transfer Frequency
1963 • 161 citations
Configuration-Interaction Calculation of H3 and H2
1965 • 131 citations
Molecular Binding Energies
1966 • 127 citations
Atomic Valence States and Chemical Binding
1954 • 119 citations
On the rapid computation of matrix elements
1968 • 105 citations
Configuration-Interaction Study of the Ground State of the H3+ Molecule
1964 • 97 citations
Study of the Electronic Structure of Molecules. VII. Inner and Outer Complex in the NH4Cl Formation from NH3 and HCl
1967 • 93 citations
Microwave Spectrum, Spectroscopic Constants, and Electric Dipole Moment of Li6F19
1963 • 89 citations
Molecular Schrödinger Equation. VI. Results for H3 and Other Simple Systems
1967 • 82 citations
Optimized Single-Configuration Wavefunction for the Ground State of Lithium Fluoride
1963 • 72 citations
The electronic spectra of conjugated hydrocarbons
1953 • 66 citations
Molecular Schrödinger Equation. II. Monte Carlo Evaluation of Integrals
1964 • 62 citations
THE RAMAN SPECTRUM OF FLUORINE
1951 • 49 citations
General Analysis of Various Methods of Atoms in Molecules
1960 • 47 citations
On the Method of Atoms in Molecules
1955 • 38 citations
Energy Surface for the Linear H3 System
1965 • 37 citations
New Approach to the Quantum-Mechanical Analysis of the Electronic Structures of Molecules. The Method of Deformed Atoms in Molecules
1957 • 35 citations
Role of Atomic Valence States in Molecular Energy Calculations
1958 • 35 citations
The dissociation energy of fluorine
1958 • 28 citations
Electron Detachment in H− + F and H + F− Collisions
1968 • 24 citations
On the Fluorine Molecule. Part I. The Pilot Calculation
1961 • 23 citations
Investigation of a new quantum-mechanical method of approximation
1955 • 21 citations
Some Potential-Energy Surfaces on H3+ Computed with Generalized Gaussian Orbitals
1966 • 20 citations
Determination of Accurate Single-Center Expansions with Slater-Type Orbitals: The H3 System
1967 • 12 citations
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