Combined open shell Hartree-Fock theory of atomic-molecular and nuclear systems
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Publication:2385383
DOI10.1007/s10910-006-9090-0zbMath1119.92071OpenAlexW1980561811MaRDI QIDQ2385383
Publication date: 12 October 2007
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-006-9090-0
Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)
Related Items (7)
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 ⋮ Application of combined open shell Hartree-Fook-Roothaan theory to molecules using symmetrical one-range addition theorems of Slater type orbitals ⋮ Evaluation of potential of electric field produced by molecule using symmetrical one-range addition theorems for Coulomb-Yukawa like correlated interaction potentials of integer and noninteger indices ⋮ Evaluation of the auxiliary function \(G_{-ns}^{q}\) using basic overlap integrals over Slater type orbitals ⋮ Evaluation of intermolecular interaction energy using one-range addition theorems for \({\psi ^\alpha}\)-ETO and Coulomb-Yukawa like correlated interaction potentials with integer and noninteger indices ⋮ Use of unsymmetrical one-range addition theorems of Slater type orbitals in molecular electronic structure determination ⋮ Comment on ``Combined open shell Hartree-Fock theory of atomic-molecular and nuclear systems [J. Math. Chem. 42 (2007) 177]
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