Ground and excited states of group IVA diatomics from local-spin-density calculations: Model potentials for Si, Ge, and Sn

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

1980 • 19,673 citations

Ab initio effective core potentials for molecular calculations. Potentials for K to Au including the outermost core orbitals

1985 • 14,719 citations

Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi

1985 • 9,528 citations

On the calculation of multiplet energies by the hartree-fock-slater method

1977 • 961 citations

Ab initio methods in quantum chemistry

1987 • 874 citations

On first-row diatomic molecules and local density models

1979 • 627 citations

A New Approximation Method in the Problem of Many Electrons

1935 • 483 citations

A new computational approach to Slater’s SCF–Xα equation

1975 • 423 citations

Local-density theory of multiplet structure

1979 • 364 citations

The Pseudopotential Concept

1970 • 325 citations

Ab initiocluster study of the interaction of fluorine and chlorine with the Si(111) surface

1983 • 184 citations

Applied quantum chemistry

1988 • 179 citations

Model potential calculations for second-row transition metal molecules within the local-spin-density method

1985 • 167 citations

Theoretical prediction of the potential curves for the lowest-lying states of the isovalent diatomics CN+, Si2, SiC, CP+, and SiN+ using the a b i n i t i o MRD-CI method

1980 • 152 citations

Compact basis sets for LCAO‐LSD calculations. Part I: Method and bases for Sc to Zn

1985 • 147 citations

The Calculation of Bloch Functions

1971 • 125 citations

Model potential method in molecular calculations

1984 • 119 citations

Electron structure calculations including CI for ten low lying states of Pb2 and Sn2. Partition function and dissociation energy of Sn2

1983 • 105 citations

Relativistic calculations of dissociation energies and related properties

1984 • 96 citations

�ber die metallische Bindung

1935 • 95 citations

Second row homopolar diatomic molecules. Potential curves, spectroscopic constants, and dissociation energies at the basis set limit for SCF and limited CI wave functions

1984 • 84 citations

Vibrational potentials and structures in molecular and solid carbon, silicon, germanium, and tin

1975 • 75 citations

Molecular orbital study of the ground and excited states of ozone

1976 • 68 citations

Basis set effects on spectroscopic constants for C2 and Si2 and the symmetry dilemma in the Xα model

1983 • 65 citations

Electronic structure and bonding of the dimeric germanium molecule from all-electron ab initio calculations and equilibrium measurements

1986 • 61 citations

Chemisorption of CO on Pd(100): An lcgto‐lsd cluster study

1986 • 61 citations

Singlet–triplet splittings as obtained from the Xα‐scattered wave method: A theoretical analysis

1975 • 55 citations

Potential energy curves and transition moments for the low-lying electronic states of the Si2 molecule

1982 • 50 citations

Multiplet structure and charge distributions in silicon and germanium dimers

1978 • 46 citations

Explicit treatment of correlation within density-functional theories that use the kinetic-energy operator

1984 • 44 citations

Mass Spectrometric Study of the Gaseous Molecules above AgSn, AuSn, and CuSn Alloys

1962 • 40 citations

Theoretical investigation of the electronic structure and of the potential energy curves for the lowest-lying states of Ge₂

1983 • 36 citations

On the ground-state properties of the germanium dimer

1984 • 29 citations

Predictions of the bond length and vibrational frequency of Ge2

1983 • 29 citations

Electronic structure calculations for the molecules Si₂ and Ge₂ using all electron ab initio <scp>HF</scp>‐<scp>CI</scp> methods

1986 • 27 citations

Model Hamiltonians in the study of chemisorption and catalysis

1985 • 26 citations

Silicon carbide - Its ground state and predicted spectrum

1974 • 25 citations

Raman spectrum of matrix-isolated diatomic tin

1978 • 23 citations

Contribution of Clusters Physics to Materials Science and Technology

1986 • 22 citations

Accurate effective core potential for germanium. Application to the singlet-triplet splitting in GeH2

1986 • 17 citations