multicenter integrals Latest Research Papers

Erratum: Multicenter integrals over long-range operators using Cartesian Gaussian functions [Phys. Rev. A 37 , 2834 (1988)]

Physical Review A ◽

10.1103/physreva.103.069901 ◽

2021 ◽

Vol 103 (6) ◽

Author(s):

Peter Schwerdtfeger ◽

H. Silberbach

Keyword(s):

Long Range ◽

Multicenter Integrals ◽

Gaussian Functions

Multicenter integrals involving complex Gaussian-type functions

10.1016/bs.aiq.2021.05.006 ◽

2021 ◽

pp. 287-304

Author(s):

Abdallah Ammar ◽

Arnaud Leclerc ◽

Lorenzo Ugo Ancarani

Keyword(s):

Multicenter Integrals ◽

Gaussian Type

An Application of the Gaussian Transform for Approximating Some Bessel Functions and Multicenter Integrals Involving 1s Slater-Type Orbitals

Advances in Quantum Chemistry - Electron Correlation in Molecules – ab initio Beyond Gaussian Quantum Chemistry ◽

10.1016/bs.aiq.2015.06.007 ◽

2016 ◽

pp. 139-144

Author(s):

Philip E. Hoggan ◽

Jorge E. Pérez ◽

Ahmed Bouferguene

Keyword(s):

Bessel Functions ◽

Slater Type Orbitals ◽

Slater Type ◽

Multicenter Integrals ◽

Gaussian Transform

Calculation of One-Electron Multicenter Integrals of Slater Type Orbitals and Coulomb–Yukawa Like Correlated Interaction Potentials with Integer and Noninteger Indices Using Unsymmetrical One-Range Addition Theorems

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.20100083 ◽

2010 ◽

Vol 83 (9) ◽

pp. 1047-1051 ◽

Cited By ~ 5

Author(s):

I. I. Guseinov ◽

B. A. Mamedov

Keyword(s):

Slater Type Orbitals ◽

Addition Theorems ◽

Slater Type ◽

Interaction Potentials ◽

Multicenter Integrals

The evaluation of multicenter integrals by polished brute force techniques: I. Analysis, numerical methods, and computational design of the potential-charge distribution scheme

International Journal of Quantum Chemistry ◽

10.1002/qua.560010644 ◽

2009 ◽

Vol 1 (S1) ◽

pp. 375-401 ◽

Cited By ~ 13

Author(s):

Arnold C. Wahl ◽

Robert H. Land

Keyword(s):

Numerical Methods ◽

Charge Distribution ◽

Computational Design ◽

Brute Force ◽

Multicenter Integrals ◽

Distribution Scheme

Tailored Gauss quadratures, a promising route for an efficient evaluation of multicenter integrals over B functions

The Journal of Chemical Physics ◽

10.1063/1.3113663 ◽

2009 ◽

Vol 130 (20) ◽

pp. 204103 ◽

Cited By ~ 1

Author(s):

A. Rebabti ◽

R. Ghomari ◽

A. Bouferguene

Keyword(s):

Multicenter Integrals

Use of auxiliary functions $${Q_{ns}^q}$$ and $${G_{-ns}^q}$$ in evaluation of multicenter integrals over integer and noninteger n-Slater type orbitals arising in Hartree–Fock–Roothaan equations for molecules

Journal of Mathematical Chemistry ◽

10.1007/s10910-008-9431-2 ◽

2008 ◽

Vol 45 (4) ◽

pp. 974-980 ◽

Cited By ~ 5

Author(s):

I. I. Guseinov

Keyword(s):

Slater Type Orbitals ◽

Slater Type ◽

Multicenter Integrals ◽

Auxiliary Functions ◽

Hartree Fock

Expansion formula for the product of two normalized associated Legendre functions in the evaluation of multicenter integrals

Mathematical Notes ◽

10.1134/s0001434607070176 ◽

2007 ◽

Vol 82 (1-2) ◽

pp. 137-137

Author(s):

T. Özdogan ◽

M. Orbay

Keyword(s):

Legendre Functions ◽

Expansion Formula ◽

Associated Legendre Functions ◽

Multicenter Integrals

Expansion formula for the product of two normalized associated Legendre functions and its advantages in the evaluation of multicenter integrals

Mathematical Notes ◽

10.1007/s11006-006-0119-2 ◽

2006 ◽

Vol 80 (1-2) ◽

pp. 141-145 ◽

Cited By ~ 2

Author(s):

T. Özdogan ◽

M. Orbay

Keyword(s):

Legendre Functions ◽

Expansion Formula ◽

Associated Legendre Functions ◽

Multicenter Integrals

One-range addition theorems for derivatives of integer and noninteger u Coulomb–Yukawa type central and noncentral potentials and their application to multicenter integrals of integer and noninteger n Slater orbitals

Journal of Molecular Structure THEOCHEM ◽

10.1016/j.theochem.2005.10.002 ◽

2005 ◽

Vol 757 (1-3) ◽

pp. 165-169 ◽

Cited By ~ 6

Author(s):

I.I. Guseinov

Keyword(s):

Addition Theorems ◽

Multicenter Integrals ◽

Slater Orbitals ◽

Derivatives Of ◽

Central And Noncentral Potentials

multicenter integrals
Recently Published Documents

TOTAL DOCUMENTS

H-INDEX

Erratum: Multicenter integrals over long-range operators using Cartesian Gaussian functions [Phys. Rev. A 37 , 2834 (1988)]

Multicenter integrals involving complex Gaussian-type functions

An Application of the Gaussian Transform for Approximating Some Bessel Functions and Multicenter Integrals Involving 1s Slater-Type Orbitals

Calculation of One-Electron Multicenter Integrals of Slater Type Orbitals and Coulomb–Yukawa Like Correlated Interaction Potentials with Integer and Noninteger Indices Using Unsymmetrical One-Range Addition Theorems

The evaluation of multicenter integrals by polished brute force techniques: I. Analysis, numerical methods, and computational design of the potential-charge distribution scheme

Tailored Gauss quadratures, a promising route for an efficient evaluation of multicenter integrals over B functions

Use of auxiliary functions $${Q_{ns}^q}$$ and $${G_{-ns}^q}$$ in evaluation of multicenter integrals over integer and noninteger n-Slater type orbitals arising in Hartree–Fock–Roothaan equations for molecules

Expansion formula for the product of two normalized associated Legendre functions in the evaluation of multicenter integrals

Expansion formula for the product of two normalized associated Legendre functions and its advantages in the evaluation of multicenter integrals

One-range addition theorems for derivatives of integer and noninteger u Coulomb–Yukawa type central and noncentral potentials and their application to multicenter integrals of integer and noninteger n Slater orbitals

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multicenter integralsRecently Published Documents

TOTAL DOCUMENTS

H-INDEX

Erratum: Multicenter integrals over long-range operators using Cartesian Gaussian functions [Phys. Rev. A 37 , 2834 (1988)]

Multicenter integrals involving complex Gaussian-type functions

An Application of the Gaussian Transform for Approximating Some Bessel Functions and Multicenter Integrals Involving 1s Slater-Type Orbitals

Calculation of One-Electron Multicenter Integrals of Slater Type Orbitals and Coulomb–Yukawa Like Correlated Interaction Potentials with Integer and Noninteger Indices Using Unsymmetrical One-Range Addition Theorems

The evaluation of multicenter integrals by polished brute force techniques: I. Analysis, numerical methods, and computational design of the potential-charge distribution scheme

Tailored Gauss quadratures, a promising route for an efficient evaluation of multicenter integrals over B functions

Use of auxiliary functions $${Q_{ns}^q}$$ and $${G_{-ns}^q}$$ in evaluation of multicenter integrals over integer and noninteger n-Slater type orbitals arising in Hartree–Fock–Roothaan equations for molecules

Expansion formula for the product of two normalized associated Legendre functions in the evaluation of multicenter integrals

Expansion formula for the product of two normalized associated Legendre functions and its advantages in the evaluation of multicenter integrals

One-range addition theorems for derivatives of integer and noninteger u Coulomb–Yukawa type central and noncentral potentials and their application to multicenter integrals of integer and noninteger n Slater orbitals

multicenter integrals
Recently Published Documents