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pro vyhledávání: '"Rothstein, E. V."'
Autor:
Rothstein, E. V.
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
Externí odkaz:
http://arxiv.org/abs/1207.5866
Autor:
Rothstein, E. V.
Publikováno v:
Phys. Rev. A 3 (1971), 1581
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
Externí odkaz:
http://arxiv.org/abs/1104.3646
Autor:
Rothstein, E. V.
A unified formula for analytical evaluation of two-center exchange, hybrid and coulombic type integrals is presented.
Externí odkaz:
http://arxiv.org/abs/1104.3650