✦ LIBER ✦

Program for calculating configuration interaction in the CNDO approximation

✍ Scribed by S. G. Gagaria; I. A. Abronin

Publisher: SP MAIK Nauka/Interperiodica
Year: 1976
Tongue: English
Weight: 128 KB
Volume: 16
Category: Article
ISSN: 0022-4766
DOI: 10.1007/bf00748098

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📜 SIMILAR VOLUMES

Role of the configuration interaction in

Role of the configuration interaction in the CNDO/S calculation of optical rotatory strengths

✍ Andrey P. Volosov; Vladimir A. Zubkov 📂 Article 📅 1977 🏛 Springer 🌐 English ⚖ 491 KB

Program for calculating the electronic s

Program for calculating the electronic structure of molecules by the semiempirical CNDO method

✍ V. É. L'vovskii; G. B. Erusalimskii 📂 Article 📅 1977 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 85 KB

The CNDO approximation in the Green's fu

The CNDO approximation in the Green's function method for VIP calculation

✍ Christoph -Maria Liegener; Udo Scherz 📂 Article 📅 1979 🏛 Springer 🌐 English ⚖ 354 KB

Resolvent technique and Padé approximant

Resolvent technique and Padé approximants in configuration interaction calculations

✍ I. Røeggen 📂 Article 📅 1975 🏛 John Wiley and Sons 🌐 English ⚖ 576 KB

## Abstract A perturbation approach based on resolvent technique and Padé approximants is proposed. The eigenvalue of interest is part of a solution of two nonlinear algebraic equations. The nonlinear equations are arrived at by considering two different expression of the expectation value of the r

Calculation for the complex NO+...N2in t

Calculation for the complex NO+...N2in the semi-empirical approximation with allowance for configurational interaction

✍ S. G. Gagarin; I. A. Lygina 📂 Article 📅 1980 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 310 KB

A program for calculating the zone struc

A program for calculating the zone structure of solids in the tight binding approximation

✍ S. G. Gagarin 📂 Article 📅 1978 🏛 SP MAIK Nauka/Interperiodica 🌐 English ⚖ 248 KB