Calculation of 3-Center One-Electron Integrals langle AB | r_C^{-1} rangle and Coulomb Repulsion Matrix Elements langle AB | CC'rangle in an Exponential Type Spherical AO Basis

Author： Novosadov B.K.  

Publisher： Springer Publishing Company

ISSN： 0022-4766

Source： Journal of Structural Chemistry, Vol.43, Iss.3, 2002-05, pp. : 390-400

Disclaimer: Any content in publications that violate the sovereignty, the constitution or regulations of the PRC is not accepted or approved by CNPIEC.

Previous Menu Next

Abstract

Related content

Calculation of 4-Center Coulomb Repulsion Matrix Elements in a Basis of Exponential Type Spherical AO Using 9-Dimensional Polyspherical Harmonics

By Novosadov B.K.  

Journal of Structural Chemistry, Vol. 43, Iss. 3, 2002-05 ,pp. : 383-389

Springer Publishing Company

Access to resources Recommend Favorite

Method of Calculating Two-Center Two-Particle Matrix Elements from a Screened Coulomb Potential in an Exponential AO Basis

By Novosadov B.K.  

Journal of Structural Chemistry, Vol. 42, Iss. 3, 2001-05 ,pp. : 355-359

Springer Publishing Company

Access to resources Recommend Favorite

A New Analytical Method for Calculating Molecular Integrals in a Basis Set of Exponential AO. Coulomb Interaction Coefficients

By Novosadov B.K.   Nikitin O.Y.  

Journal of Structural Chemistry, Vol. 41, Iss. 6, 2000-11 ,pp. : 1066-1069

Springer Publishing Company

Access to resources Recommend Favorite

Direct calculation of the Coulomb matrix: Slater-type orbitals

By Ema Ignacio   López Rafael   Ramírez Guillermo   Rico Jaime  

Theoretical Chemistry Accounts, Vol. 128, Iss. 1, 2011-01 ,pp. : 115-125

Springer Publishing Company

Access to resources Recommend Favorite

A New Method of Calculating Multicenter Matrix Elements in MO LCAO Theory Using an Exponential Type Basis

By Novosadov B.K.  

Journal of Structural Chemistry, Vol. 42, Iss. 6, 2001-11 ,pp. : 920-925

Springer Publishing Company

Access to resources Recommend Favorite