๐”– Bobbio Scriptorium
โœฆ   LIBER   โœฆ

On a variational method for calculating excited-state wavefunctions

โœ Scribed by Maurice Cohen; Tova Feldmann


Publisher
Elsevier Science
Year
1970
Tongue
English
Weight
255 KB
Volume
6
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

โœฆ Synopsis


A varintionrd method for cnlculnting an approximate excited-state wavefunction which has maximum overlnp with the corresponding exact wavefunction. recently employed by Messmer. is rederived from n generalization of the classical procedure of Weinstein. The method requires knc.&dge of the appropriate exact energy level. hut no explicit constrain'w are required in the sari: 5on process.


๐Ÿ“œ SIMILAR VOLUMES


Variational wavefunctions for low-lying
โœ F. Grein; A. Banerjee ๐Ÿ“‚ Article ๐Ÿ“… 1975 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 502 KB

keccived 2 November 3.974 The multiconfiguration method based on the generalized Brillouin theorem is well suited to optimize orbit& in variational wavcfunctions forlow-lyingcxsitcds~tcs ofa+vensyrnmetry.Such ~=vof~unctions~ccon~edtabeoahopo~to 2nd nonintemclie with the wavcfunchons for all lower.s

Orthogonality-constrained variational ca
โœ Priyatosh Dutta; S.P. Bhattacharyya ๐Ÿ“‚ Article ๐Ÿ“… 1989 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 448 KB

A viable strategy is developed for the general variational calculation of excited state wavefunctions which are constrained to remain orthogonal to all the lower lying states of the same symmetry. A key element of the strategy is to employ the penalisedfunctional procedure for enforcing the relevant

On the nonlinear manifold energy variati
โœ R.K. Pathak; K. Bhattacharyya ๐Ÿ“‚ Article ๐Ÿ“… 1994 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 624 KB

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 techniq

Statistical wavefunction method for high
โœ R.B. Gerber; Victoria Buch; M.A. Ratner ๐Ÿ“‚ Article ๐Ÿ“… 1982 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 216 KB

An approtimauon is proposed ior ulctitions of average propcrtics of high-lying vrbntronal states of polyatomrcs. The method employs a statisttul model for the wavefunctions. The appro\lmstron was tested apmst elact, extenrivc numcrid results for transition moment dlstnbutrons in two-mode model sysrc