Perturbation corrections to Koopmans' theorem. I. Double‐zeta Slater‐type‐orbital basis

The Journal of Chemical Physics ◽

10.1063/1.1681673 ◽

1974 ◽

Vol 61 (1) ◽

pp. 78-84 ◽

Author(s):

Delano P. Chong ◽

F. Geoffrey Herring ◽

Denis McWilliams

Keyword(s):

Slater Type ◽

Slater Type Orbital ◽

Type Orbital ◽

Orbital Basis ◽

Koopmans Theorem ◽

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A new single-center method to compute molecular integrals of quantum chemistry in slater-type orbital basis of functions

International Journal of Quantum Chemistry ◽

10.1002/qua.560500103 ◽

1994 ◽

Vol 50 (1) ◽

pp. 21-42 ◽

Author(s):

A. Bouferguene ◽

D. Rinaldi

Keyword(s):

Quantum Chemistry ◽

Single Center ◽

Slater Type ◽

Slater Type Orbital ◽

Type Orbital ◽

Orbital Basis ◽

Molecular Integrals

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Calculations on diatomic molecules with Slater-type orbital basis sets

International Journal of Quantum Chemistry ◽

10.1002/(sici)1097-461x(1998)70:1<89::aid-qua6>3.0.co;2-1 ◽

1998 ◽

Vol 70 (1) ◽

pp. 89-93 ◽

Author(s):

Ahmed Bouferguene ◽

Babak Etemadi ◽

Herbert W. Jones

Keyword(s):

Diatomic Molecules ◽

Slater Type ◽

Slater Type Orbital ◽

Type Orbital ◽

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Slater-Type Orbital Basis Sets: Reliable and Rapid Solution of the Schrödinger Equation for Accurate Molecular Properties

Solving the Schrödinger Equation ◽

10.1142/9781848167254_0007 ◽

2011 ◽

pp. 141-199 ◽

Author(s):

Philip E. Hoggan

Keyword(s):

Schrödinger Equation ◽

Schrodinger Equation ◽

Molecular Properties ◽

Slater Type ◽

Slater Type Orbital ◽

Type Orbital ◽

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Tensor Approximation of Slater-Type Orbital Basis Functions

Advances in Electrical and Electronic Engineering ◽

10.15598/aeee.v15i2.2235 ◽

2017 ◽

Vol 15 (2) ◽

Author(s):

Martin Mrovec

Keyword(s):

Basis Functions ◽

Slater Type ◽

Slater Type Orbital ◽

Type Orbital ◽

Orbital Basis ◽

Tensor Approximation

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New Slater‐type orbital basis sets for first row transition elements

The Journal of Chemical Physics ◽

10.1063/1.451239 ◽

1986 ◽

Vol 85 (3) ◽

pp. 1475-1483 ◽

Author(s):

L. A. G. Bernardo ◽

J. A. Sordo

Keyword(s):

Slater Type ◽

Transition Elements ◽

Slater Type Orbital ◽

Type Orbital ◽

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Positron Annihilation in Perfect and Defective TiO<sub>2</sub> Rutile Crystal with Single Particle Wave Function: Slater Type Orbital and Modified Jastrow Functions

World Journal of Nuclear Science and Technology ◽

10.4236/wjnst.2014.41006 ◽

2014 ◽

Vol 04 (01) ◽

pp. 33-39 ◽

Author(s):

Trinh Hoa Lang ◽

Chau Van Tao ◽

Kieu Tien Dung ◽

Le Hoang Chien

Keyword(s):

Wave Function ◽

Positron Annihilation ◽

Single Particle ◽

Slater Type ◽

Slater Type Orbital ◽

Single Particle Wave Function ◽

Type Orbital ◽

Rutile Crystal ◽

Particle Wave Function

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Spin-Polarized Relativistic Calculations in Linear Augmented-Slater-Type-Orbital Method

Electronic Structure ◽

10.1088/2516-1075/ac0f54 ◽

2021 ◽

Author(s):

Hiroshi Yamagami ◽

Yohei Kitawaki

Keyword(s):

Orbital Method ◽

Slater Type ◽

Slater Type Orbital ◽

Type Orbital ◽

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Application of Löwdin's canonical orthogonalization method to the Slater-type orbital configuration-interaction basis set

International Journal of Quantum Chemistry ◽

10.1002/qua.24867 ◽

2015 ◽

Vol 115 (7) ◽

pp. 434-441 ◽

Author(s):

Li Guang Jiao ◽

Yew Kam Ho

Keyword(s):

Configuration Interaction ◽

Basis Set ◽

Slater Type ◽

Slater Type Orbital ◽

Orthogonalization Method ◽

Type Orbital ◽

Orbital Configuration

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The assessment and application of an approach to noncovalent interactions: the energy decomposition analysis (EDA) in combination with DFT of revised dispersion correction (DFT-D3) with Slater-type orbital (STO) basis set

Journal of Molecular Modeling ◽

10.1007/s00894-012-1425-0 ◽

2012 ◽

Vol 18 (10) ◽

pp. 4577-4589 ◽

Author(s):

Wei Gao ◽

Huajie Feng ◽

Xiaopeng Xuan ◽

Liuping Chen

Keyword(s):

Noncovalent Interactions ◽

Decomposition Analysis ◽

Basis Set ◽

Energy Decomposition Analysis ◽

Dispersion Correction ◽

Slater Type ◽

Energy Decomposition ◽

Slater Type Orbital ◽

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A vibrational circular dichroism implementation within a Slater-type-orbital based density functional framework and its application to hexa- and hepta-helicenes

Theoretical Chemistry Accounts ◽

10.1007/s00214-006-0234-x ◽

2007 ◽

Vol 119 (1-3) ◽

pp. 245-263 ◽

Author(s):

Valentin Paul Nicu ◽

Johannes Neugebauer ◽

Stephen K. Wolff ◽

Evert Jan Baerends

Keyword(s):

Circular Dichroism ◽

Density Functional ◽

Vibrational Circular Dichroism ◽

Slater Type ◽

Slater Type Orbital ◽

Type Orbital ◽

Circular Dichroïsm

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