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Efficient calculation of the polarizability: a simplified effective-energy technique

โœ Scribed by Berger, J. A.; Reining, L.; Sottile, F.

Book ID
119885203
Publisher
Springer
Year
2012
Tongue
English
Weight
307 KB
Volume
85
Category
Article
ISSN
1434-6036

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Using a piece-wise constant potential approximation, we present an approach to one-dimensional molecular torsion calculations which avoids the step of matrix diagonalisation inherent in conventional approaches. The eigenvalues and eigenvectors, being exact solutions to an approximated problem, are r