Spin Adaptation is a methodological procedure in quantum chemical calculations that enforces the correct eigenvalue of the total spin operator on wavefunctions within the framework of Configuration Interaction, thereby ensuring that the electronic states are proper spin eigenstates.
31
Publications
3K
Citations
72
Authors
42
Institutions
Publications per year
2017–2026
2
Parents
Publications
31
1–5 of 31
Authors
72
- LL
3
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- AT
3
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- MU
3
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- PN
3
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2
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1–5 of 72
Institutions
42
University of Waterloo
Waterloo, Canada
3 h-index
5 publications
340 citations
University of the Basque Country
Leioa, Spain
3 h-index
7 publications
164 citations
Comenius University Bratislava
Bratislava, Slovakia
3 h-index
9 publications
462 citations
Iowa State University
Ames, United States
2 h-index
5 publications
225 citations
University of Georgia
Athens, United States
2 h-index
6 publications
5.1K citations
University of Sheffield
Sheffield, United Kingdom
2 h-index
4 publications
52 citations
Eötvös Loránd University
Budapest, Hungary
2 h-index
3 publications
87 citations
Tokyo University of the Arts
Tokyo, Japan
1 h-index
1 publications
16 citations
1–8 of 42
Venues
- The Journal of Chemical Physics
16 publications · 2.6K citations
15
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- Physical Review A
PRA · 3 publications · 98 citations
3
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- Journal of Chemical Theory and Computation
JCTC · 3 publications · 109 citations
3
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- Chemical Physics Letters
2 publications · 26 citations
2
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- The Journal of Physical Chemistry A
1 publications · 19 citations
1
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1–5