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On invariant procedures in approximate SCF MO theories

✍ Scribed by Karl Jug

Publisher
John Wiley and Sons
Year
2009
Tongue
English
Weight
470 KB
Volume
3
Category
Article
ISSN
0020-7608

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📜 SIMILAR VOLUMES

On invariance requirements in approximat
On invariance requirements in approximate SCF MO Theory
✍ D. N. Nanda; P. T. Narasimhan 📂 Article 📅 1977 🏛 John Wiley and Sons 🌐 English ⚖ 469 KB

## Abstract The invariance question int he CNDO and INDO levels of approximation is discussed with particular reference to one‐center and two‐center two‐electron integrals and rotation of molecule‐fixed coordinate axes. It is shown that asufficient condition for rotational invariance for the cone‐c

Quasi-relativistic approximation in the
Quasi-relativistic approximation in the SCF-MO-LCAO method
✍ I. B. Bersuker; S. S. Budnikov; B. A. Leizerov 📂 Article 📅 1972 🏛 John Wiley and Sons 🌐 English ⚖ 414 KB

## Abstract A quasi‐relativistic approach to the MO‐LCAO method is formulated taking into account the relativistic effects with an accuracy up to (__v/c__)^2^ terms, the relativistic part of the electronic interaction in the Hamiltonian being neglected. In the framework of this approximation a set