Application of systematic sequences of wave functions to the water dimer

Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen

1989 • 29,475 citations

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors

1970 • 20,717 citations

A fifth-order perturbation comparison of electron correlation theories

1989 • 7,940 citations

Chemical Applications of Atomic and Molecular Electrostatic Potentials

1981 • 1,539 citations

The structure of water dimer from molecular beam electric resonance spectroscopy

1977 • 739 citations

Studies of molecular association in H2O and D2O vapors by measurement of thermal conductivity

1979 • 683 citations

Extensive theoretical studies of the hydrogen-bonded complexes (H2O)2, (H2O)2H+, (HF)2, (HF)2H+, F2H−, and (NH3)2

1986 • 669 citations

Partially deuterated water dimers: Microwave spectra and structure

1980 • 642 citations

Systematic study of basis set superposition errors in the calculated interaction energy of two HF molecules

1985 • 616 citations

Size consistency in the dilute helium gas electronic structure

1977 • 596 citations

Modern Techniques in Computational Chemistry: MOTECC™-90

1990 • 404 citations

Intermolecular potential functions and the properties of water

1982 • 391 citations

Study of the structure of molecular complexes. IV. The Hartree-Fock potential for the water dimer and its application to the liquid state

1973 • 315 citations

A theoretical study of the water dimer interaction

1988 • 260 citations

Study of the Structure of Molecular Complexes. I. Energy Surface of a Water Molecule in the Field of a Lithium Positive Ion

1972 • 248 citations

The basis set superposition error in correlated electronic structure calculations

1986 • 236 citations

One-electron properties of several small molecules using near Hartree–Fock limit basis sets

1987 • 233 citations

Possible improvements of the interaction energy calculated using minimal basis sets

1979 • 223 citations

Molecular orbital study of the dimers (AHn)2 formed from ammonia, water, hydrogen fluoride, phosphine, hydrogen sulfide, and hydrogen chloride

1985 • 209 citations

An approximation to frozen natural orbitals through the use of the Hartree–Fock exchange potential

1981 • 192 citations

An analysis of the hydrogen bond in ice

1990 • 160 citations

Correction of the basis set superposition error in SCF and MP2 interaction energies. The water dimer

1986 • 132 citations

Basis set superposition effects on properties of interacting systems. Dipole moments and polarizabilities

1982 • 107 citations

Validity of the function counterpoise method and ab initio calculations of van der Waals interaction energy

1991 • 82 citations

Quasidegenerate variational perturbation theory and the calculation of first-order properties from variational perturbation theory wave functions

1988 • 82 citations

Improved counterpoise corrections for the a b i n i t i o calculation of hydrogen bonding interactions

1986 • 72 citations

Quadratic configuration interaction: Reply to comment by Paldus, Cizek, and Jeziorski

1989 • 65 citations

Simple procedure for estimating the Hartree-Fock-limit energies of molecules

1974 • 48 citations

Characterization of the bifurcated structure of the water dimer

1991 • 44 citations

An SCF-CI study of the water dimer potential surface and the effects of including the correlation energy, the basis set superposition error and the Davidson correction

1985 • 30 citations

Three-dimensional spatial characteristics of primary and secondary basis set superposition error

1987 • 14 citations