Dynamic hyperpolarizabilities in Moller-Plesset perturbation theory

Citation
M. Shiga et al., Dynamic hyperpolarizabilities in Moller-Plesset perturbation theory, INT J QUANT, 71(3), 1999, pp. 251-271
Citations number
57
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY
ISSN journal
00207608 → ACNP
Volume
71
Issue
3
Year of publication
1999
Pages
251 - 271
Database
ISI
SICI code
0020-7608(19990120)71:3<251:DHIMPT>2.0.ZU;2-Q
Abstract
As a formulation for calculating the dynamic polarizabilities and hyperpola rizabilities, two different types of the time-dependent Moller-Plesset pert urbation theory (MPPT) are presented: the MPPT in the quasienergy derivativ e method (QED-MPPT) and the MPPT in the energylike derivative method (ELD-M PPT). The explicit expressions for the response properties in each of these MPPT up to the quadratic response [ mu, alpha(- omega(1), omega(1)), beta( - omega(sigma), omega(1), omega(2))] at an arbitrary correlated order are g iven. Calculations of the dynamic polarizabilities and hyperpolarizabilitie s dependent on one frequency at the second-order MPPT (MP2) in the QED meth od (QED-MP2) and in the ELD method (ELD-MP2), are examined for 10-electron systems: hydrogen fluoride and neon. (C) 1999 John Wiley & Sons, Inc.