Title	Publication Date	Language	Citations
Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions	1995/01/01		29
An integral direct, distributed-data, parallel MP2 algorithm	1997/01/01		19
A CASPT2 study of the valence and lowest Rydberg electronic states of benzene and phenol	1995/01/01		13
Different forms of the zeroth-order Hamiltonian in second-order perturbation theory with a complete active space self-consistent field reference function	1995/01/01		13
Møller–Plesset correlation energies in a localized orbital basis using a Laplace transform technique	1997/01/01		13
Diatomic interaction energies in the topological theory of atoms in molecules	1997/01/01		12
Analytic energy derivatives for the equation-of-motion coupled-cluster method: Algebraic expressions, implementation and application to the	1995/01/01		12
Ab initio	1995/01/01		11
Exact transformations of CI spaces, VB representations of CASSCF wavefunctions and the optimization of VB wavefunctions	1996/01/01		10
Orbital connections for perturbation-dependent basis sets	1995/01/01		9
Individualized configuration selection in CI calculations with subsequent energy extrapolation	1974/03/01	English	9
Extension of the local-spin-density exchange-correlation approximation to multiplet states	1995/01/01		8
Multiconfigurational second-order perturbative methods: Overview and comparison of basic properties	1995/01/01		8
A theoretical determination of the electronic spectrum of Methylenecyclopropene	1996/01/01		8
Theoretical study of the first transition row oxides and sulfides	1995/01/01		7
Optimization of Gaussian basis sets for Dirac–Hartree–Fock calculations	1996/01/01		6
Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions	1995/01/01		6
Spin–orbit corrections to the indirect nuclear spin–spin coupling constants in XH	1997/01/01		5
Standardized basis sets for high-level-correlated relativistic calculations of atomic and molecular electric properties in the spin-averaged Douglas–Kroll (no-pair) approximation	1996/01/01		4
A simple correction to final state energies of doublet radicals described by equation-of-motion coupled cluster theory in the singles and doubles approximation	1996/01/01		4
Analytical Hartree–Fock electron densities for atoms He through Lr	1997/01/01		4
Complete to second-order	1996/01/01		4
Modern valence bond representations of CASSCF wavefunctions	1996/01/01		4
Fully relativistic pseudopotentials for alkaline atoms: Dirac–Hartree–Fock and configuration interaction calculations of alkaline monohydrides	1996/01/01		3
The internal rotational barrier of biphenyl studied with multiconfigurational second-order perturbation theory (CASPT2)	1995/01/01		3
Symmetry adaptation and the utilization of point group symmetry in valence bond calculations, including CASVB	1997/01/01		3
Electric properties of the water molecule in	1996/01/01		3
A vibrational CASSCF study of stretch–bend interactions and their influence on infrared intensities in the water molecule	1995/01/01		3
T	1996/01/01		2
Numerical investigations of different orders of relativistic effects in atomic shells	1996/01/01		2