A FAST ITERATIVE ROUTE TO THE OPTIMAL ANGLE OF ROTATION IN THE COMPLEX COORDINATE ROTATION METHOD - SOME MODEL APPLICATIONS

Authors
ADHIKARI S BHATTACHARYYA SP
Citation
S. Adhikari et Sp. Bhattacharyya, A FAST ITERATIVE ROUTE TO THE OPTIMAL ANGLE OF ROTATION IN THE COMPLEX COORDINATE ROTATION METHOD - SOME MODEL APPLICATIONS, Chemical physics letters, 265(1-2), 1997, pp. 99-104
Citations number
21
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Chemical physics letters → ACNP
ISSN journal
00092614
Volume
265
Issue
1-2
Year of publication
1997
Pages
99 - 104
Database
ISI
SICI code
0009-2614(1997)265:1-2<99:AFIRTT>2.0.ZU;2-N
Abstract
The Hellmann-Feynman theorem is invoked for the complex-rotated Hamilt onian leading to an algebraic theta-equation which can be solved easil y yielding the optimum rotation angle. The stabilized pole positions a nd their widths are then obtained cost-effectively without having to c onstruct familiar theta-trajectories. Model applications indicate the efficacy of the procedure suggested.