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Antisymmetric product of geminals in the context of the method of moments

✍ Scribed by I. Røeggen

Publisher
John Wiley and Sons
Year
1981
Tongue
English
Weight
831 KB
Volume
19
Category
Article
ISSN
0020-7608

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✦ Synopsis

Abstract

A scheme for obtaining approximate solutions of the electronic Schrödinger equation is formulated within the context of the method of moments. The flexibility of the method of moments is utilized in the construction of a model based on an antisymmetric product of geminals (APG). This APG model is compared with a model based on an antisymmetric product of strongly orthogonal geminals (APSG). As a test example the advocated APG model is applied to the ground state of ammonia. Our best APG function recovers 37% of the total molecular correlation energy to be compared with an estimated 31% for the best APSG function.

📜 SIMILAR VOLUMES

The antisymmetrized product of weak nono
The antisymmetrized product of weak nonorthogonal geminals
✍ I. Ts. Lyast 📂 Article 📅 1978 🏛 John Wiley and Sons 🌐 English ⚖ 282 KB

## Abstract Most commonly the nonorthogonality of geminals is weakly expressed so that the exchange and overlap integrals ζ^(η)^, φ^(η)^ are negligible for large exchange parameters η. The conditions which allow the terms with large η to be discarded are considered. The integrals ζ^(η)^, φ^(η)^ are

Coupled perturbation theory within the a
Coupled perturbation theory within the antisymmetrized product of separated geminals (APSG) framework
✍ Yu. Dmitriev; G. Peinel 📂 Article 📅 1981 🏛 John Wiley and Sons 🌐 English ⚖ 319 KB

## Abstract A coupled perturbation theory for the antisymmetrized product of separated geminals (APSG) approximation is derived. The variational principle for the APSG wave function in an external oscillating field is employed and a set of equations of the form analogous to the normal RPA is obtain