arXiv subjects

E. V. Rothstein

Publications and source records attributed to E. V. Rothstein.

3 recordsLinked to original sources

arXiv2012

Derivation of Unified Analytic Electron Interaction Integrals over Slater Orbitals for Diatomic Molecules

In previous work, the necessary integrals arising from correlated wavefunctions were expressed in forms suitable for numerical integration. For the evaluation of $r_{12}$ and $1/r_{12}$ integrals an analytic formula is derived. Combinatorial aspects of more than two electron integrals are discussed.

math-ph↗

arXiv2011

Unified Analytic Electron Interaction Integrals Over Slater Orbitals for Diatomic Molecules

A unified formula for analytical evaluation of two-center exchange, hybrid and coulombic type integrals is presented.

math-ph↗

arXiv2011

Two-Center Integrals for r_{ij}^{n} Polynomial Correlated Wave Functions

All integrals needed to evaluate the correlated wave functions with polynomial terms of inter-electronic distance are included. For this form of the wave function, the integrals needed can be expressed as a product of integrals involving at most four electrons.

math-ph↗