Comment on “Accurate Relativistic Dirac—Fock and MBPT Calculations on Argon with Basis sets of Contracted Gaussian Functions” by Y. Ishikawa and R. C. Binning Jr

The Effects of Relativity in Atoms, Molecules, and the Solid State ◽

10.1007/978-1-4615-3702-1_15 ◽

1991 ◽

pp. 215-215

Author(s):

K. G. Dyall

Keyword(s):

Gaussian Functions

Download Full-text

Distributed basis sets of s-type Gaussian functions in molecular electronic structure calculations

Molecular Physics ◽

10.1080/00268979400100384 ◽

1994 ◽

Vol 82 (3) ◽

pp. 523-530 ◽

Author(s):

D. Moncrieff ◽

S. Wilson

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Molecular Electronic ◽

Gaussian Functions ◽

Molecular Electronic Structure ◽

Structure Calculations

Download Full-text

Distributed Gaussian basis sets: description of the Hartree-Fock ground state energies of N2, CO and BF using s- and p-type Gaussian functions

Molecular Physics ◽

10.1080/00268979500100971 ◽

1995 ◽

Vol 85 (1) ◽

pp. 103-120 ◽

Author(s):

D. Moncrieff ◽

S. Wilson

Keyword(s):

Ground State ◽

Gaussian Basis Sets ◽

Gaussian Functions ◽

Hartree Fock ◽

P Type ◽

Ground State Energies

Download Full-text

Distributed basis sets of s-type Gaussian functions for simple diatomics: Anharmonic-model distribution

International Journal of Quantum Chemistry ◽

10.1002/qua.21428 ◽

2007 ◽

Vol 107 (14) ◽

pp. 2632-2642 ◽

Author(s):

V. N. Glushkov ◽

S. Wilson

Keyword(s):

Gaussian Functions ◽

Model Distribution

Download Full-text

Optimum basis sets of spherical Gaussian functions and their structure for high-precision calculations of the energies of molecules in the Hartree-Fock approximation

Optics and Spectroscopy ◽

10.1134/s0030400x06060014 ◽

2006 ◽

Vol 100 (6) ◽

pp. 807-817 ◽

Author(s):

V. N. Glushkov

Keyword(s):

High Precision ◽

Gaussian Functions ◽

Download Full-text

Distributed basis sets ofs-type Gaussian functions for molecular electronic structure calculations: Applications of the Gaussian cell model to one-electron polycentric linear molecular systems

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1996)60:1<47::aid-qua5>3.0.co;2-5 ◽

1996 ◽

Vol 60 (1) ◽

pp. 47-57 ◽

Author(s):

S. Wilson

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Molecular Electronic ◽

Molecular Systems ◽

Gaussian Functions ◽

Molecular Electronic Structure ◽

Structure Calculations

Download Full-text

New basis sets in quantum mechanics of molecules: Hermite-Gaussian functions

Pure and Applied Chemistry ◽

10.1351/pac198961122075 ◽

1989 ◽

Vol 61 (12) ◽

pp. 2075-2085 ◽

Author(s):

Z. B. Maksic ◽

K. Kovacevic ◽

M. Primorac

Keyword(s):

Quantum Mechanics ◽

Gaussian Functions

Download Full-text

Matrix Dirac—Fock—Breit SCF calculations on heavy atoms using geometric basis sets of Gaussian functions

Chemical Physics Letters ◽

10.1016/0009-2614(92)85104-i ◽

1992 ◽

Vol 188 (1-2) ◽

pp. 145-148 ◽

Author(s):

Yasuyuki Ishikawa ◽

Gulzari L. Malli ◽

A. Jim Stacey

Keyword(s):

Gaussian Functions ◽

Heavy Atoms ◽

Scf Calculations

Download Full-text

Accurate Relativistic Dirac-Fock and MBPT Calculations on Argon with Basis Sets of Contracted Gaussian Functions

The Effects of Relativity in Atoms, Molecules, and the Solid State ◽

10.1007/978-1-4615-3702-1_14 ◽

1991 ◽

pp. 207-214

Author(s):

Yasuyuki Ishikawa ◽

R. C. Binning

Keyword(s):

Gaussian Functions

Download Full-text

Distributed basis sets of s-type Gaussian functions in molecular electronic structure calculations. Part 2. The Gaussian cell model

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(95)04271-7 ◽

1995 ◽

Vol 357 (1-2) ◽

pp. 37-48 ◽

Author(s):

S. Wilson

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Molecular Electronic ◽

Gaussian Functions ◽

Molecular Electronic Structure ◽

Structure Calculations

Download Full-text

Off-center Gaussian functions: Applications toward larger basis sets, post-second-order correlation treatment, and truncated virtual orbital space in investigations of noncovalent interactions

International Journal of Quantum Chemistry ◽

10.1002/qua.25580 ◽

2018 ◽

Vol 118 (14) ◽

pp. e25580 ◽

Author(s):

Miroslav Melicherčík ◽

Denisa Suchá ◽

Pavel Neogrády ◽

Michal Pitoňák

Keyword(s):

Noncovalent Interactions ◽

Second Order ◽

Gaussian Functions ◽

Virtual Orbital ◽

Download Full-text