Applications of Spin-dependent GUGA, Time-reversal andDouble Point Group Symmetries to an Efficient DirectSpin-Orbit CI Method

Author:

YABUSHITA Satoshi

Publisher

Society of Computer Chemistry Japan

Subject

General Medicine

Reference16 articles.

1. [1] W. C. Ermler, R. B. Ross, P. A. Christiansen, Adv. Quantum Chem., 19, 139 (1988).

2. [2] M. Dolg, H. Stoll, Electronic structure calculations for molecules containing lanthanide atoms. In Handbook on the Physics and Chemistry of Rare Earths; Gschneider, K. A., Eyring. L., Eds.; Elsevier: Amsterdam. 1995; Vol. 22, pp. 607–729.

3. [3] R. M. Pitzer, N. W. Winter, J. Phys. Chem., 92, 3061 (1988).

4. [4] T. Inui,Y. Tanabe,Y. Onodera, Group Theory and Its Applications in Physics; Springer Series in Solid-State Sciences 78, Springer-Verlag (1996). [Title of the original Japanese edition: Ouyou gun ron - Gun hyougen to butsuri gaku © Shokabo Publishing Co., Ltd., Tokyo 1976].

5. [5] I. Shavitt, The graphical unitary group approach and its application to direct configuration-interaction calculations. In The Unitary Group for the Evaluation of Electronic Energy Matrix Elements; Hinze, J., Ed.; Lecture Notes in Chemistry 22; Springer: Berlin, 51–99 (1981).

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