slater orbital
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GW Method for Extended, Periodic Systems with a Mixed Slater-Orbital/Plane-Wave Basis and Fourier Transform Techniques

Advances in Quantum Chemistry ◽

10.1016/s0065-3276(05)48004-1 ◽

2005 ◽

pp. 35-45 ◽

Author(s):

Hendrik J. Monkhorst

Keyword(s):

Fourier Transform ◽

Orbital Plane ◽

Periodic Systems ◽

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Variational quantum Monte Carlo ground state of lithium on a Slater orbital basis

Physica A Statistical Mechanics and its Applications ◽

10.1016/0378-4371(95)00059-g ◽

1995 ◽

Vol 216 (1-2) ◽

pp. 151-157 ◽

Author(s):

H. Eckstein ◽

W. Schattke

Keyword(s):

Monte Carlo ◽

Ground State ◽

Quantum Monte Carlo ◽

Slater Orbital ◽

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Solving the Dirac equation, using the large component only, in a Dirac-type Slater orbital basis set

Chemical Physics Letters ◽

10.1016/0009-2614(95)00177-6 ◽

1995 ◽

Vol 236 (3) ◽

pp. 235-241 ◽

Author(s):

E. van Lenthe ◽

E.J. Baerends ◽

J.G. Snijders

Keyword(s):

Dirac Equation ◽

Basis Set ◽

Large Component ◽

Slater Orbital ◽

Orbital Basis ◽

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Calculating the effective nuclear charge for a slater orbital from physical screening concepts

Journal of Structural Chemistry ◽

10.1007/bf00753020 ◽

1992 ◽

Vol 32 (4) ◽

pp. 455-461

Author(s):

A. I. Ermakov

Keyword(s):

Nuclear Charge ◽

Effective Nuclear Charge ◽

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Slater-orbital molecular integrals by numerical Fourier-transform methods. II. Four-center integrals over is orbitals

International Journal of Quantum Chemistry ◽

10.1002/qua.560170415 ◽

1980 ◽

Vol 17 (4) ◽

pp. 747-757 ◽

Author(s):

Ante Graovac ◽

Kre?imir Kova?evi? ◽

Zvonimir B. Maksi ◽

Ahmet Veseli

Keyword(s):

Fourier Transform ◽

Transform Methods ◽

Slater Orbital ◽

Fourier Transform Methods ◽

Molecular Integrals

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Relativistic Dirac-Fock-Slater orbital binding energies and one-electron transition energies Cu XVI–XIX, Zn XVII–Zn XX, Ag XI–Ag XIX, and Sn XVIII–Sn XXIII

Atomic Data and Nuclear Data Tables ◽

10.1016/0092-640x(78)90005-0 ◽

1978 ◽

Vol 21 (1) ◽

pp. 77-90 ◽

Author(s):

K. Rashid

Keyword(s):

Electron Transition ◽

Binding Energies ◽

Transition Energies ◽

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A Gaussian and Slater orbital study of fine structure in the X 3Σ− and A 3Π states of NH, OH+, PH, and SH+

The Journal of Chemical Physics ◽

10.1063/1.433550 ◽

1976 ◽

Vol 65 (9) ◽

pp. 3641-3646 ◽

Author(s):

P. Palmiere ◽

M. L. Sink

Keyword(s):

Fine Structure ◽

Slater Orbital ◽

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Expansion of a function about a displaced center for multicenter integrals: A general and closed expression for the coefficients in the expansion of a Slater orbital and for overlap integrals

Physical Review A ◽

10.1103/physreva.13.517 ◽

1976 ◽

Vol 13 (2) ◽

pp. 517-527 ◽

Author(s):

R. R. Sharma

Keyword(s):

Overlap Integrals ◽

Closed Expression ◽

Slater Orbital ◽

Multicenter Integrals

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Non-integer Slater orbital calculations

Theoretica Chimica Acta ◽

10.1007/bf00548474 ◽

1976 ◽

Vol 42 (4) ◽

pp. 325-332 ◽

Author(s):

Alain Allouche

Keyword(s):

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Beschreibung der Richtung des elektrischen Dipolmomentvektors 14 durch Slater-Orbitalexponenten, / The Direction of the Electric Dipole Moment Vector μ⃗ as Inferred from Slater Orbital Exponents

Zeitschrift für Naturforschung B ◽

10.1515/znb-1975-7-816 ◽

1975 ◽

Vol 30 (7-8) ◽

pp. 550-553

Author(s):

Paul Machmer

Keyword(s):

Dipole Moment ◽

Electric Dipole Moment ◽

Electric Dipole ◽

Population Analysis ◽

Electron Population ◽

Slater Orbital ◽

Moment Vector ◽

Molecular Ground State ◽

Heteronuclear Molecules ◽

Orbital Exponents

By means of Slater orbital exponents it is possible to differentiate between the positive and the negative end of the permanent electric dipole of diatomic heteronuclear molecules. Thus Slater orbital exponents hold a clue to the direction of the electric dipole moment vector μ⃗ of the molecular ground state. A comparison with electron population analysis is made.

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