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Energy approximants and perturbation theory

✍ Scribed by I.K. Dmitrieva; G.I. Plindov

Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
269 KB
Volume
74
Category
Article
ISSN
0375-9601

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📜 SIMILAR VOLUMES

Approximate fourth-order perturbation th
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## Abstract An approximate fourth‐order expression for the electron correlation energy in the Møller–Plesset perturbation scheme is proposed. It takes into account all the contributions to the fourthorder energy neglecting only those of the triple‐substituted determinants. It is size consistent and

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Psdd approximnnts are applied to improve the convergence of various perturbation expansrons for the enemy of n groundstate hydrogen atom intemcting with ;t proton. It is observed that the convergence defects of the Rayleigh-Schrodiager (RS) polarization and g mmetrized RS polarization expansions nre

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✍ Delano P. Chong; Yuuzi Takahata 📂 Article 📅 1977 🏛 John Wiley and Sons 🌐 English ⚖ 532 KB

## Abstract Energy‐shifted perturbation theory is studied in connection with corrections to Koopmans' theorem. The first three vertical Ionization potentials of N~2~, C~2~H~2~, and HCN are computed with basis sets of double‐zeta Gaussian‐type orbitals and double‐zeta GTO plus polarization functions