Title of article
Multi-partitioning Mّller-Plesset perturbation theory. A state-selective formulation
Author/Authors
Zaitsevskii، نويسنده , , Andréi and Malrieu، نويسنده , , Jean-Paul، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1996
Pages
7
From page
366
To page
372
Abstract
A state-selective (intermediate Hamiltonian) formulation of the recently proposed multi-partitioning Mّller-Plesset perturbation theory is presented. The novel approach offers the possibility to combine the decontracted treatment of the reference space parts of wavefunctions with numerical stability in the presence of intruder states and strict separability at second order. Test applications to molecular electronic structure calculations are considered.
Journal title
Chemical Physics Letters
Serial Year
1996
Journal title
Chemical Physics Letters
Record number
1776098
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