Abstract
It is shown that the method of simulated annealing in conjunction with the penalized functional strategy can be invoked with great facility for the simultaneous optimization of both linear and non-linear parameters of a trial wave function. Proper choice of the functional form and constraints ensure applicability of the proposed method to excited state calculations as well. (author). 10 refs., 3 figs., 1 tab.
Dutta, P;
Bhattacharyya, S P
[1]
- Indian Association for the Cultivation of Science, Calcutta (India). Department of Physical Chemistry
Citation Formats
Dutta, P, and Bhattacharyya, S P.
The method of simulated annealing in the variational calculation of electronic structure.
India: N. p.,
1992.
Web.
Dutta, P, & Bhattacharyya, S P.
The method of simulated annealing in the variational calculation of electronic structure.
India.
Dutta, P, and Bhattacharyya, S P.
1992.
"The method of simulated annealing in the variational calculation of electronic structure."
India.
@misc{etde_101494,
title = {The method of simulated annealing in the variational calculation of electronic structure}
author = {Dutta, P, and Bhattacharyya, S P}
abstractNote = {It is shown that the method of simulated annealing in conjunction with the penalized functional strategy can be invoked with great facility for the simultaneous optimization of both linear and non-linear parameters of a trial wave function. Proper choice of the functional form and constraints ensure applicability of the proposed method to excited state calculations as well. (author). 10 refs., 3 figs., 1 tab.}
journal = []
issue = {4}
volume = {40}
journal type = {AC}
place = {India}
year = {1992}
month = {Dec}
}
title = {The method of simulated annealing in the variational calculation of electronic structure}
author = {Dutta, P, and Bhattacharyya, S P}
abstractNote = {It is shown that the method of simulated annealing in conjunction with the penalized functional strategy can be invoked with great facility for the simultaneous optimization of both linear and non-linear parameters of a trial wave function. Proper choice of the functional form and constraints ensure applicability of the proposed method to excited state calculations as well. (author). 10 refs., 3 figs., 1 tab.}
journal = []
issue = {4}
volume = {40}
journal type = {AC}
place = {India}
year = {1992}
month = {Dec}
}