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Analytic many-body perturbation theory MBPT(4) response properties

✍ Scribed by G.W. Trucks; E.A. Salter; J. Noga; R.J. Bartlett

Publisher: Elsevier Science
Year: 1988
Tongue: English
Weight: 575 KB
Volume: 150
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(88)80393-2

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✦ Synopsis

The full MBPT(4) response density matrix has been derived and implemented. This allows for the analytic determination of MElPT( 4) one-electron properties at a fraction of the cost of traditional numerical calculations. Dipole moments and polarizabilities are compared with full CI results for CH,, F-, and HF. In addition, an extended basis set for H,O is investigated.

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