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On the nonlinear manifold energy variation method and excited state calculations

✍ Scribed by R.K. Pathak; K. Bhattacharyya

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
624 KB
Volume
230
Category
Article
ISSN
0009-2614

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✦ Synopsis

A coupled linear-nonlinear variational scheme is adopted to highlight the efficacy of the method of minimisation of manifold energy in relation to the conventional method. Particularly, the viability of this route in computing excited state energies is assessed. An unconstrained minimisation technique for excited states, with even better performance, is also put forward in the same context. Demonstrative calculations on various anharmonic oscillators rev-eal a substantial computational gain in every case.

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