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Application of the natural transition orbital (NTO) method to excited states

✍ Scribed by K. Deguchi; K. Kanno; H. Miyagawa

Publisher
Elsevier Science
Year
1976
Tongue
English
Weight
319 KB
Volume
39
Category
Article
ISSN
0009-2614

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✦ Synopsis

Using the natural transition orbital method of Day et al., we propose a method for the calculation of excited states when the ground state is given by a correlated wave function. This method is a natural extension of the electron-hole potential method of Morokuma and Iwata to a correlated system.

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