completely active space (cas) calculation (Verlag GmbH)
90
Structured Review
Verlag GmbH
completely active space (cas) calculation
Completely Active Space (Cas) Calculation, supplied by Verlag GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/completely+active+space+(cas)+calculation/completely+active+space++cas++calculation/pm17458839-162-7-16
Average 90 stars, based on 1 article reviews
Completely Active Space (Cas) Calculation, supplied by Verlag GmbH, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
https://www.bioz.com/product/completely+active+space+(cas)+calculation/completely+active+space++cas++calculation/pm17458839-162-7-16
Average 90 stars, based on 1 article reviews
completely active space (cas) calculation - by Bioz Stars,
2026-09
90/100 stars
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other:Article Title: Charge decomposition analysis of the electron localizability indicator: a bridge between the orbital and direct space representation of the chemical bond. Article Snippet: The electron localization function (ELF) originally defined by Becke and Edgecombe for a Hartree–Fock (HF) wavefunction has proven to be a valuable quantum mechanical tool for bonding analysis in position space.. One drawback to its use has been the unknown physical content of this function as it has been defined in axiomatic manner employing an arbitrary division of the position-dependent, spherically averaged conditional pair probability density by that of a reference model system, namely, the free electron gas.. Another problem, in fact connected with the first one, is the difficulty of uniquely defining the ELF at a correlated level of theory. |