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A perturbation theory using a local potential from Hartree–Fock orbitals

✍ Scribed by F.R. Manby; P.J. Knowles

Book ID
108312617
Publisher
Elsevier Science
Year
1998
Tongue
English
Weight
119 KB
Volume
296
Category
Article
ISSN
0009-2614

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A constant-denominator perturbation theo
A constant-denominator perturbation theory using circulant orbitals
✍ Min-Bo Chen; Robert G. Parr 📂 Article 📅 1985 🏛 John Wiley and Sons 🌐 English ⚖ 415 KB

## Abstract A constant‐denominator perturbation formalism is developed employing a basis of circulant orbitals and a projected Møller–Plesset partitioning of the Hamiltonian operator. A formal justification for the classical Unsöld approximation is thereby provided. A calculation of correlation ene