Reduced-size representations of high-quality atomic densities. The hybrid Gaussian–exponential case (English)
- New search for: Francisco, E.
- New search for: Pueyo, L.
- New search for: Pendás, A. Martín
- New search for: Francisco, E.
- New search for: Pueyo, L.
- New search for: Pendás, A. Martín
In:
Theoretical Chemistry Accounts
;
112
, 3
;
113-123
;
2004
- Article (Journal) / Electronic Resource
-
Title:Reduced-size representations of high-quality atomic densities. The hybrid Gaussian–exponential case
-
Contributors:
-
Published in:Theoretical Chemistry Accounts ; 112, 3 ; 113-123
-
Publisher:
- New search for: Springer-Verlag
-
Place of publication:Berlin/Heidelberg
-
Publication date:2004-03-06
-
Size:11 pages
-
ISSN:
-
DOI:
-
Type of media:Article (Journal)
-
Type of material:Electronic Resource
-
Language:English
-
Keywords:
-
Source:
Table of contents – Volume 112, Issue 3
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 113
-
Reduced-size representations of high-quality atomic densities. The hybrid Gaussian–exponential caseFrancisco, E. / Pueyo, L. / Pendás, A. Martín et al. | 2004
- 124
-
The expansion of hydrogen states in Gaussian orbitalsBakken, Vebjørn / Helgaker, Trygve et al. | 2004
- 135
-
Can STO basis sets do a good job in evaluating molecular electromagnetic properties? II: Second hyperpolarizability of $ H_{2} $O, $ CH_{4} $ and $ NH_{3} $ according to the TDHF theoryLamanna, U. T. / Guidotti, C. / Durante, N. / Arrighini, G. P. / Bruzzone, S. et al. | 2004
- 141
-
Method for evaluation of density functional integrals in molecular calculationsBian, Qiuping / Talman, James D. et al. | 2004
- 145
-
The influence of simulation conditions in molecular dynamics investigations of model b-sheet peptidesMonticelli, Luca et al. | 2004
- 145
-
The influence of simulation conditions in molecular dynamics investigations of model β-sheet peptidesMonticelli, Luca / Colombo, Giorgio et al. | 2004
- 158
-
A scheme for the economical use of numerical basis sets in calculations with SIESTAZhang, R. Q. / Zhang, Q. Z. / Zhao, M. W. et al. | 2004
- 163
-
Development and optimisation of a novel genetic algorithm for studying model protein foldingCox, Graham A. / Mortimer-Jones, Thomas V. / Taylor, Robert P. / Johnston, Roy L. et al. | 2004