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Evaluation of two‐center,three‐ and four‐electron integrals over Slater‐type orbitals in elliptical coordinates
Authors:Jan Budzi&#x;ski
Institution:Jan Budziński
Abstract:An algorithm for evaluation of two‐center, three‐electron integrals with the correlation factors of the type rurn:x-wiley:00207608:media:QUA10801:tex2gif-stack-1rurn:x-wiley:00207608:media:QUA10801:tex2gif-stack-2 and rurn:x-wiley:00207608:media:QUA10801:tex2gif-stack-3rurn:x-wiley:00207608:media:QUA10801:tex2gif-stack-4rurn:x-wiley:00207608:media:QUA10801:tex2gif-stack-5 as well as four‐electron integrals with the correlation factors rurn:x-wiley:00207608:media:QUA10801:tex2gif-stack-6rurn:x-wiley:00207608:media:QUA10801:tex2gif-stack-7rurn:x-wiley:00207608:media:QUA10801:tex2gif-stack-8 and rurn:x-wiley:00207608:media:QUA10801:tex2gif-stack-9rurn:x-wiley:00207608:media:QUA10801:tex2gif-stack-10rurn:x-wiley:00207608:media:QUA10801:tex2gif-stack-11 in the Slater basis is presented. This problem has been solved here in elliptical coordinates, using the generalized and modified form of the Neumann expansion of the interelectronic distance function rurn:x-wiley:00207608:media:QUA10801:tex2gif-stack-12 for k ≥ ?1. Some numerical results are also included. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2004
Keywords:molecular integrals  two‐center integrals  Slater‐type orbitals  elliptical coordinates
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