Citation Impact
Citing Papers
QM/MM Methods for Biomolecular Systems
2009 Standout
Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions
1992 Standout
Magnetic Spin Susceptibility of AsF 5
1978 StandoutNobel
A steepest-descent method for the calculation of localized orbitals and pseudoorbitals
1978
Localized orbitals based on the fermi hole
1984
Bond length alternation in cyclic polyenes. IV. Finite‐order purturbation theory approach
1984
Correlation problems in atomic and molecular systems. V. Spin-adapted coupled cluster many-electron theory
1977
The ORCA quantum chemistry program package
2020 Standout
A simple extension of the external magnasco-perico localization procedure to the virtual MO-Space
1981
Molecular models for the solvation of small ions and polar molecules
1975
Molecular orbital calculations on the conformation of polypeptides and proteins
1970
An AB initio configuration interaction study of cis and trans ground-state hoco radical using localized orbitals: Structural analysis or correlation effects
1985
SparseMaps—A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory
2016
Quantum-mechanical perturbation theory
1977
The reduced linear equation method in coupled cluster theory.
1981
A comprehensive review of ZnO materials and devices
2005 Standout
Comparison of high-order many-body perturbation theory and configuration interaction for H2O
1977
Fourth-order Mo/ller–Plessett perturbation theory in the local correlation treatment. I. Method
1987
Gaussian basis sets for use in correlated molecular calculations. IX. The atoms gallium through krypton
1999 Standout
Dimensional interpolation for two-electron atoms
1986 StandoutNobel
Pattern formation outside of equilibrium
1993 Standout
The polarizabilities of CH and CC bonds
1975
Second-order Møller-Plesset perturbation energy obtained from divide-and-conquer Hartree-Fock density matrix
2006 StandoutNobel
Quadratic configuration interaction. A general technique for determining electron correlation energies
1987 StandoutNobel
Contribution of triple substitutions to the electron correlation energy in fourth order perturbation theory
1980 StandoutNobel
Low-order scaling local electron correlation methods. IV. Linear scaling local coupled-cluster (LCCSD)
2001
Noncovalent Interactions: A Challenge for Experiment and Theory
1999 Standout
Maximally localized generalized Wannier functions for composite energy bands
1997 Standout
General atomic and molecular electronic structure system
1993 Standout
Extension of linear-scaling divide-and-conquer-based correlation method to coupled cluster theory with singles and doubles excitations
2008 StandoutNobel
Rates of convergence of the partial-wave expansions of atomic correlation energies
1992
Carrier-Based Ion-Selective Electrodes and Bulk Optodes. 1. General Characteristics
1997 Standout
On the Structure of the Magnesium Difluoride Molecule
1972
A fifth-order perturbation comparison of electron correlation theories
1989 StandoutNobel
A complete basis set model chemistry. II. Open-shell systems and the total energies of the first-row atoms
1991 Standout
Spatio-temporal intermittency in coupled map lattices
1988
Theoretical investigations on circular and chain-like hydrogen bonded structures found in two crystal forms of α-cyclodextrin hexahydrate
1981
Extremely localized molecular orbitals: theory and applications
2007
Non-iterative local second order Møller–Plesset theory
1998
Low-order scaling local electron correlation methods. V. Connected triples beyond (T): Linear scaling local CCSDT-1b
2002
Real-time clocking of bimolecular reactions: Application to H+CO2
1990 StandoutNobel
Hyper-Rayleigh scattering in solution
1991 Standout
Comment on ‘‘Electron correlation and bond alternation in polymers’’
1989 StandoutNobel
Basis-set convergence of correlated calculations on water
1997 Standout
A simple measure of electron localization in atomic and molecular systems
1990 Standout
MP2 energy evaluation by direct methods
1988 StandoutNobel
Approximating full configuration interaction with selected configuration interaction and perturbation theory
1991
Quadratically convergent calculation of localized molecular orbitals
1982
Chemistry with ADF
2001 Standout
Consistent generalization of the Møller-Plesset partitioning to open-shell and multiconfigurational SCF reference states in many-body perturbation theory
1987
Bond length alternation in cyclic polyenes. V. Local finite‐order perturbation theory approach
1984
Alternative linear-scaling methodology for the second-order Møller-Plesset perturbation calculation based on the divide-and-conquer method
2007 StandoutNobel
Reaction-rate theory: fifty years after Kramers
1990 Standout
Self-consistent molecular orbital methods. XVII. Geometries and binding energies of second-row molecules. A comparison of three basis sets
1976 StandoutNobel
Molecular Applications of Coupled Cluster and Many-Body Perturbation Methods
1980
Quantum theory of molecular electronic structure
1980
The Stability of Cyclodextrin Complexes in Solution
1997 Standout
Self-consistent molecular orbital methods. XX. A basis set for correlated wave functions
1980 StandoutNobel
Convergence of an improved CIPSI algorithm
1983
Molecular mechanics and the camseq processor
1977
Localized molecular orbitals for polyatomic molecules. I. A comparison of the Edmiston-Ruedenberg and Boys localization methods
1974 StandoutNobel
The through‐space transmission of 77Se — 77Se coupling constants
1987
Iterative perturbation calculations of ground and excited state energies from multiconfigurational zeroth-order wavefunctions
1973
Self-Consistent Strictly Localized Orbitals
2007
A full coupled-cluster singles and doubles model: The inclusion of disconnected triples
1982 Standout
Polarization properties of ZnO and BeO: Anab initiostudy through the Berry phase and Wannier functions approaches
2001
π-Bonding and the Lone Pair Effect in Multiple Bonds Involving Heavier Main Group Elements: Developments in the New Millennium
2010 Standout
Application of the many‐body perturbation theory by using localized orbitals
1983
Theoretical study of the proton magnetic resonance spectra of 11-cis-retinal in relation to the conformation of the molecule
1972
Size dependence of delocalized treatments of the correlation problem
1979
Ab initio effective core potentials for molecular calculations. Potentials for main group elements Na to Bi
1985 Standout
6-31G* basis set for atoms K through Zn
1998 StandoutNobel
SCF and localized orbitals in ethylene: MBPT/CC results and comparison with one-million configuration Cl
1983
Electron density in Mo/ller–Plesset theory
1975 StandoutNobel
Anisotropy of the Induced Current Density (ACID), a General Method To Quantify and Visualize Electronic Delocalization
2005 Standout
Second-order perturbation theory with a complete active space self-consistent field reference function
1992 Standout
Orbital-invariant formulation and second-order gradient evaluation in M�ller-Plesset perturbation theory
1986
Configuration-interaction calculations for the ground state of OF2, NO 2 ? , CN?: Canonical orbitals and exclusive orbitals
1969
Quantum Mechanical Continuum Solvation Models
2005 Standout
1983 Standout
Strong Closed-Shell Interactions in Inorganic Chemistry
1997 Standout
Role of Frontier Orbitals in Chemical Reactions
1982 StandoutScienceNobel
Many-body perturbation theory applied to hydrogen fluoride
1974
Conformation of retinal isomers
1974 StandoutNobel
Local treatment of electron correlation in coupled cluster theory
1996
Theoretical models incorporating electron correlation
2009 Nobel
Instability of tunneling and the concept of molecular structure in quantum mechanics: The case of pyramidal molecules and the enantiomer problem
1986
Inclusion of core-valence correlation effects in pseudopotential calculations. I. Alkali atoms and diatoms
1982
The OPLS [optimized potentials for liquid simulations] potential functions for proteins, energy minimizations for crystals of cyclic peptides and crambin
1988 Standout
Pair-correlation energies in sodium hydride with many-body perturbation theory
1974
The equation of motion coupled-cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties
1993 Standout
Étude quantique de l'isomérisation s-cis-s-trans de l'anneau cyclohexéne par rapport à la chaîne polyénique dans le rétinal et l'acide β-ionylidène crotonique
1970
Quadratic configuration interaction: Reply to comment by Paldus, Cizek, and Jeziorski
1989 StandoutNobel
Natural localized molecular orbitals
1985 Standout
Many-body perturbation theory applied to electron pair correlation energies. I. Closed-shell first-row diatomic hydrides
1975
A complete basis set model chemistry. I. The total energies of closed-shell atoms and hydrides of the first-row elements
1988 Standout
Low-order scaling local electron correlation methods. III. Linear scaling local perturbative triples correction (T)
2000
An iterative variational method and its application to configuration interaction
1978 StandoutNobel
Works of S. Diner being referenced
Use of perturbation methods for the study of configuration interaction effects
1967
The Concept of Molecular Structure in Quantum Theory: Interpretation Problems
1980
Fully localized bond orbitals and the correlation problem
1968
The use of perturbation methods for the study of the effects of configuration interaction
1967
The Use of Perturbation Methods for the Study of the Effects of Configuration Interaction
1967
Localized bond orbitals and the correlation problem
1969
Dynamical Systems — A Renewal of Mechanism
1986
Localized bond orbitals and the correlation problem
1969
1972
Localized bond orbitals and the correlation problem
1969
Use of perturbation methods for the study of configuration interaction effects
1970