Elsevier
Chemical Physics
,  volume 148 ,  issue 2-3 ,  pages 309-314

Fragment-localized analysis of the multiconfigurational wavefunctions

Publication type: Journal Article
Publication date: 1990-12-01
Elsevier
scimago Q2
wos Q2
SJR: 0.439
CiteScore: 4.2
Impact factor: 2.4
ISSN: 03010104, 18734421
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract
Abstract A technique is described which provides useful interpretation of results obtained with ab initio approaches. This technique is applied to analyze a charge distribution upon the dissociation of the Li 2 H 2 + system, and the diatomie fragment localized orbitals are used. Another example includes the analysis of the 2 Π states of CHH + and a new picture of pseudocrossings is introduced.
Found 
Found 

Top-30

Journals

1
Journal of Chemical Physics
Journal of Chemical Physics, 1, 50%
Journal of Chemical Physics
1 publication, 50%
Russian Chemical Bulletin
Russian Chemical Bulletin, 1, 50%
Russian Chemical Bulletin
1 publication, 50%
1

Publishers

1
AIP Publishing
AIP Publishing, 1, 50%
AIP Publishing
1 publication, 50%
Springer Nature
Springer Nature, 1, 50%
Springer Nature
1 publication, 50%
1
  • We do not take into account publications without a DOI.
  • Statistics recalculated weekly.

Are you a researcher?

Create a profile to get free access to personal recommendations for colleagues and new articles.
Metrics
2
Share
Cite this
GOST |
Cite this
GOST Copy
Buchachenko A., Nemukhin A., Stepanov N. Fragment-localized analysis of the multiconfigurational wavefunctions // Chemical Physics. 1990. Vol. 148. No. 2-3. pp. 309-314.
GOST all authors (up to 50) Copy
Buchachenko A., Nemukhin A., Stepanov N. Fragment-localized analysis of the multiconfigurational wavefunctions // Chemical Physics. 1990. Vol. 148. No. 2-3. pp. 309-314.
RIS |
Cite this
RIS Copy
TY - JOUR
DO - 10.1016/0301-0104(90)89026-M
UR - https://doi.org/10.1016/0301-0104(90)89026-M
TI - Fragment-localized analysis of the multiconfigurational wavefunctions
T2 - Chemical Physics
AU - Buchachenko, A.A.
AU - Nemukhin, Alexander
AU - Stepanov, N.F.
PY - 1990
DA - 1990/12/01
PB - Elsevier
SP - 309-314
IS - 2-3
VL - 148
SN - 0301-0104
SN - 1873-4421
ER -
BibTex |
Cite this
BibTex (up to 50 authors) Copy
@article{1990_Buchachenko,
author = {A.A. Buchachenko and Alexander Nemukhin and N.F. Stepanov},
title = {Fragment-localized analysis of the multiconfigurational wavefunctions},
journal = {Chemical Physics},
year = {1990},
volume = {148},
publisher = {Elsevier},
month = {dec},
url = {https://doi.org/10.1016/0301-0104(90)89026-M},
number = {2-3},
pages = {309--314},
doi = {10.1016/0301-0104(90)89026-M}
}
MLA
Cite this
MLA Copy
Buchachenko, A.A., et al. “Fragment-localized analysis of the multiconfigurational wavefunctions.” Chemical Physics, vol. 148, no. 2-3, Dec. 1990, pp. 309-314. https://doi.org/10.1016/0301-0104(90)89026-M.