Analytic expressions are presented for the static polarizabilities and dipole moment derivatives for the CCSD wave function as energy derivatives with respect to a field. Sample calculations are given for the isomers of cyanogen (NCCN, CNCN, CNNC). © 1994 American Institute of Physics.
Static polarizabilities and dipole moment derivatives for the closed shell coupled cluster singles and doubles wave function
Koch, Henrik
;
1994
Abstract
Analytic expressions are presented for the static polarizabilities and dipole moment derivatives for the CCSD wave function as energy derivatives with respect to a field. Sample calculations are given for the isomers of cyanogen (NCCN, CNCN, CNNC). © 1994 American Institute of Physics.File in questo prodotto:
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