STOP: A slater-type orbital package for molecular electronic structure determination

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1996)57:4<801::aid-qua27>3.0.co;2-0 ◽

1996 ◽

Vol 57 (4) ◽

pp. 801-810 ◽

Author(s):

A. Bouferguene ◽

M. Fares ◽

P. E. Hoggan

Keyword(s):

Electronic Structure ◽

Structure Determination ◽

Slater Type ◽

Molecular Electronic ◽

Slater Type Orbital ◽

Type Orbital ◽

Molecular Electronic Structure

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Use of unsymmetrical one-range addition theorems of Slater type orbitals in molecular electronic structure determination

Journal of Mathematical Chemistry ◽

10.1007/s10910-008-9352-0 ◽

2008 ◽

Vol 45 (3) ◽

pp. 702-708 ◽

Author(s):

I. I. Guseinov ◽

B. A. Mamedov ◽

Z. Andic ◽

S. Cicek

Keyword(s):

Electronic Structure ◽

Structure Determination ◽

Slater Type Orbitals ◽

Addition Theorems ◽

Slater Type ◽

Molecular Electronic ◽

Molecular Electronic Structure

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Linear augmented-Slater-type-orbital method for electronic-structure calculations. IV.5d-5dalloys

Physical Review B ◽

10.1103/physrevb.34.8421 ◽

1986 ◽

Vol 34 (12) ◽

pp. 8421-8429 ◽

Author(s):

R. E. Watson ◽

J. W. Davenport ◽

M. Weinert

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Orbital Method ◽

Slater Type ◽

Slater Type Orbital ◽

Type Orbital ◽

Structure Calculations

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Linear augmented-Slater-type-orbital method for electronic-structure calculations

Physical Review B ◽

10.1103/physrevb.29.2896 ◽

1984 ◽

Vol 29 (6) ◽

pp. 2896-2904 ◽

Author(s):

J. W. Davenport

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Orbital Method ◽

Slater Type ◽

Slater Type Orbital ◽

Type Orbital ◽

Structure Calculations

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Developments in molecular electronic structure evaluation based on the self-frictional field with Slater-type orbitals

Indian Journal of Physics ◽

10.1007/s12648-018-1278-1 ◽

2018 ◽

Vol 93 (1) ◽

pp. 7-14

Author(s):

E. Çopuroğlu ◽

B. A. Mamedov

Keyword(s):

Electronic Structure ◽

The Self ◽

Slater Type Orbitals ◽

Slater Type ◽

Molecular Electronic ◽

Molecular Electronic Structure ◽

Structure Evaluation

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Linear augmented-Slater-type-orbital method for electronic-structure calculations. III. Structural and cohesive energies of the 5delements Lu–Au

Physical Review B ◽

10.1103/physrevb.32.4883 ◽

1985 ◽

Vol 32 (8) ◽

pp. 4883-4891 ◽

Author(s):

J. W. Davenport ◽

R. E. Watson ◽

M. Weinert

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Orbital Method ◽

Slater Type ◽

Slater Type Orbital ◽

Type Orbital ◽

Cohesive Energies ◽

Structure Calculations

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Linear augmented-Slater-type-orbital method for electronic-structure calculations. V. Spin-orbit splitting inCu3Au

Physical Review B ◽

10.1103/physrevb.37.9985 ◽

1988 ◽

Vol 37 (17) ◽

pp. 9985-9992 ◽

Author(s):

J. W. Davenport ◽

R. E. Watson ◽

M. Weinert

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Orbital Method ◽

Slater Type ◽

Slater Type Orbital ◽

Orbit Splitting ◽

Type Orbital ◽

Spin Orbit Splitting ◽

Structure Calculations

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Linear augmented-Slater-type-orbital method for electronic-structure calculations. II. bcc, fcc, and hcp W

Physical Review B ◽

10.1103/physrevb.32.4876 ◽

1985 ◽

Vol 32 (8) ◽

pp. 4876-4882 ◽

Author(s):

J. W. Davenport ◽

M. Weinert ◽

R. E. Watson

Keyword(s):

Electronic Structure ◽

Electronic Structure Calculations ◽

Orbital Method ◽

Slater Type ◽

Slater Type Orbital ◽

Type Orbital ◽

Structure Calculations

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A rigorous and optimized strategy for the evaluation of the Boys function kernel in molecular electronic structure theory

Journal of Computational Chemistry ◽

10.1002/jcc.23935 ◽

2015 ◽

Vol 36 (18) ◽

pp. 1390-1398 ◽

Author(s):

Alexander K. H. Weiss ◽

Christian Ochsenfeld

Keyword(s):

Electronic Structure ◽

Electronic Structure Theory ◽

Structure Theory ◽

Molecular Electronic ◽

Molecular Electronic Structure ◽

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The general atomic and molecular electronic structure system hondo: Version 7.0

Computer Physics Communications ◽

10.1016/0010-4655(89)90116-1 ◽

1989 ◽

Vol 52 (3) ◽

pp. 415-425 ◽

Author(s):

M. Dupuis ◽

J.D. Watts ◽

H.O. Villar ◽

G.J.B. Hurst

Keyword(s):

Electronic Structure ◽

Molecular Electronic ◽

Structure System ◽

Molecular Electronic Structure

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A new implementation of the full CCSDT model for molecular electronic structure

Chemical Physics Letters ◽

10.1016/0009-2614(88)80110-6 ◽

1988 ◽

Vol 152 (4-5) ◽

pp. 382-386 ◽

Author(s):

Gustavo E. Scuseria ◽

Henry F. Schaefer

Keyword(s):

Electronic Structure ◽

Molecular Electronic ◽

Molecular Electronic Structure

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