Optimized Slater-type basis sets for the elements 1-118

Journal of Computational Chemistry ◽

10.1002/jcc.10255 ◽

2003 ◽

Vol 24 (9) ◽

pp. 1142-1156 ◽

Cited By ~ 1423

Author(s):

E. Van Lenthe ◽

E. J. Baerends

Keyword(s):

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Double even tempering of orbital exponents: Application to Roothaan-Hartree-Fock calculations for He through Xe in Slater-type basis sets

Theoretica Chimica Acta ◽

10.1007/bf01113451 ◽

1994 ◽

Vol 88 (4) ◽

pp. 273-283 ◽

Author(s):

Toshikatsu Koga ◽

Hiroshi Tatewaki ◽

Ajit J. Thakkar

Keyword(s):

Slater Type ◽

Hartree Fock ◽

Orbital Exponents

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Random phase approximation response of molecular systems to electromagnetic fields: a very preliminary investigation of choice criteria for slater-type basis sets

Journal of Molecular Structure THEOCHEM ◽

10.1016/0166-1280(92)80054-p ◽

1992 ◽

Vol 254 ◽

pp. 77-89 ◽

Author(s):

C. Guidotti ◽

U.T. Lamanna ◽

G.P. Arrighini ◽

N. Durante

Keyword(s):

Electromagnetic Fields ◽

Random Phase Approximation ◽

Preliminary Investigation ◽

Random Phase ◽

Phase Approximation ◽

Slater Type ◽

Molecular Systems

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Basis sets of gaussian and Slater-type atomic orbitals

Chemical Physics Letters ◽

10.1016/0009-2614(70)80161-0 ◽

1970 ◽

Vol 7 (5) ◽

pp. 511-516 ◽

Author(s):

D.M. Silver

Keyword(s):

Slater Type ◽

Atomic Orbitals

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Downfolding and N-ization of Basis Sets of Slater Type Orbitals

10.1063/1.2836021 ◽

2007 ◽

Author(s):

Eva Zurek ◽

Jochen Autschbach ◽

Ole Krogh Andersen ◽

Theodore E. Simos ◽

George Maroulis

Keyword(s):

Slater Type Orbitals ◽

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Erratum: Two-component relativistic hybrid density functional computations of nuclear spin-spin coupling tensors using Slater-type basis sets and density-fitting techniques [J. Chem. Phys. 129, 094105 (2008)]

The Journal of Chemical Physics ◽

10.1063/1.3131724 ◽

2009 ◽

Vol 130 (20) ◽

pp. 209901 ◽

Author(s):

Jochen Autschbach

Keyword(s):

Density Functional ◽

Chem Phys ◽

Spin Coupling ◽

Slater Type ◽

Density Fitting ◽

Two Component ◽

Spin Spin Coupling ◽

Hybrid Density Functional ◽

Density Functional Computations

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Accurate ground-state calculations ofH2+using basis sets of atom-centered Slater-type orbitals

Physical Review A ◽

10.1103/physreva.47.3430 ◽

1993 ◽

Vol 47 (4) ◽

pp. 3430-3432 ◽

Author(s):

Herbert W. Jones ◽

Babak Etemadi

Keyword(s):

Ground State ◽

Slater Type Orbitals ◽

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Roothaan-Hartree-Fock wave functions for cations and anions in Slater-type basis sets with doubly even tempered exponents

Theoretica Chimica Acta ◽

10.1007/bf01113861 ◽

1995 ◽

Vol 91 (1-2) ◽

pp. 47-66 ◽

Author(s):

Toshikatsu Koga ◽

Eri Shibata ◽

Ajit J. Thakkar

Keyword(s):

Wave Functions ◽

Slater Type ◽

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Noninteger principal quantum numbers increase the efficiency of Slater-type basis sets: singly charged cations and anions

Journal of Physics B Atomic Molecular and Optical Physics ◽

10.1088/0953-4075/30/7/004 ◽

1997 ◽

Vol 30 (7) ◽

pp. 1623-1631 ◽

Author(s):

Toshikatsu Koga ◽

Katsutoshi Kanayama

Keyword(s):

Slater Type ◽

Quantum Numbers ◽

Noninteger Principal Quantum Numbers ◽

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Convergence of the separable exchange approximation in electron-molecule scattering using Slater-type basis sets

Journal of Physics B Atomic and Molecular Physics ◽

10.1088/0022-3700/20/16/024 ◽

1987 ◽

Vol 20 (16) ◽

pp. 4143-4162 ◽

Author(s):

L Malegat ◽

M Le Dourneuf ◽

Vo Ky Lan

Keyword(s):

Slater Type ◽

Exchange Approximation ◽

Molecule Scattering

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Double- and triple-zeta Slater-type basis sets with common exponents

Theoretical Chemistry Accounts ◽

10.1007/s002140000125 ◽

2000 ◽

Vol 104 (2) ◽

pp. 167-171 ◽

Author(s):

Beatriz Miguel ◽

Toshikatsu Koga ◽

José M. García de la Vega

Keyword(s):

Slater Type ◽

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