Matches in SemOpenAlex for { <https://semopenalex.org/work/W1988586411> ?p ?o ?g. }
- W1988586411 abstract "We present a parallel implementation of a large-scale relativistic double-group configuration interaction (CI) program. It is applicable with a large variety of two- and four-component Hamiltonians. The parallel algorithm is based on a distributed data model in combination with a static load balancing scheme. The excellent scalability of our parallelization scheme is demonstrated in large-scale four-component multireference CI (MRCI) benchmark tests on two of the most common computer architectures, and we also discuss hardware-dependent aspects with respect to possible speedup limitations. With the new code we have been able to calculate accurate spectroscopic properties for the ground state and the first excited state of the BiH molecule using extensive basis sets. We focused, in particular, on an accurate description of the splitting of these two states which is caused by spin-orbit coupling. Our largest parallel MRCI calculation thereby comprised an expansion length of 2.7x10(9) Slater determinants." @default.
- W1988586411 created "2016-06-24" @default.
- W1988586411 creator A5047258080 @default.
- W1988586411 creator A5076395354 @default.
- W1988586411 creator A5081528222 @default.
- W1988586411 date "2010-01-06" @default.
- W1988586411 modified "2023-10-14" @default.
- W1988586411 title "Large-scale parallel configuration interaction. II. Two- and four-component double-group general active space implementation with application to BiH" @default.
- W1988586411 cites W1963551523 @default.
- W1988586411 cites W1963783960 @default.
- W1988586411 cites W1964820302 @default.
- W1988586411 cites W1965976518 @default.
- W1988586411 cites W1968742090 @default.
- W1988586411 cites W1968765714 @default.
- W1988586411 cites W1974363789 @default.
- W1988586411 cites W1976897869 @default.
- W1988586411 cites W1976935265 @default.
- W1988586411 cites W1982593862 @default.
- W1988586411 cites W1985439098 @default.
- W1988586411 cites W1996869398 @default.
- W1988586411 cites W2003962550 @default.
- W1988586411 cites W2008465590 @default.
- W1988586411 cites W2014894160 @default.
- W1988586411 cites W2015687179 @default.
- W1988586411 cites W2016581123 @default.
- W1988586411 cites W2025951233 @default.
- W1988586411 cites W2026430353 @default.
- W1988586411 cites W2030380628 @default.
- W1988586411 cites W2035193930 @default.
- W1988586411 cites W2038451362 @default.
- W1988586411 cites W2044491436 @default.
- W1988586411 cites W2044644454 @default.
- W1988586411 cites W2045595308 @default.
- W1988586411 cites W2048954010 @default.
- W1988586411 cites W2048985082 @default.
- W1988586411 cites W2050306259 @default.
- W1988586411 cites W2065878523 @default.
- W1988586411 cites W2067664829 @default.
- W1988586411 cites W2069006374 @default.
- W1988586411 cites W2069179896 @default.
- W1988586411 cites W2079891287 @default.
- W1988586411 cites W2082415892 @default.
- W1988586411 cites W2091685296 @default.
- W1988586411 cites W2095760405 @default.
- W1988586411 cites W2102016180 @default.
- W1988586411 cites W2121177190 @default.
- W1988586411 cites W2124501873 @default.
- W1988586411 cites W2144785497 @default.
- W1988586411 cites W2146689969 @default.
- W1988586411 cites W2153291700 @default.
- W1988586411 cites W2156578088 @default.
- W1988586411 cites W2159150433 @default.
- W1988586411 cites W2172181928 @default.
- W1988586411 cites W2515184929 @default.
- W1988586411 cites W2914311829 @default.
- W1988586411 cites W4249112099 @default.
- W1988586411 doi "https://doi.org/10.1063/1.3276157" @default.
- W1988586411 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/20078150" @default.
- W1988586411 hasPublicationYear "2010" @default.
- W1988586411 type Work @default.
- W1988586411 sameAs 1988586411 @default.
- W1988586411 citedByCount "82" @default.
- W1988586411 countsByYear W19885864112012 @default.
- W1988586411 countsByYear W19885864112013 @default.
- W1988586411 countsByYear W19885864112014 @default.
- W1988586411 countsByYear W19885864112015 @default.
- W1988586411 countsByYear W19885864112016 @default.
- W1988586411 countsByYear W19885864112017 @default.
- W1988586411 countsByYear W19885864112018 @default.
- W1988586411 countsByYear W19885864112019 @default.
- W1988586411 countsByYear W19885864112020 @default.
- W1988586411 countsByYear W19885864112021 @default.
- W1988586411 countsByYear W19885864112022 @default.
- W1988586411 countsByYear W19885864112023 @default.
- W1988586411 crossrefType "journal-article" @default.
- W1988586411 hasAuthorship W1988586411A5047258080 @default.
- W1988586411 hasAuthorship W1988586411A5076395354 @default.
- W1988586411 hasAuthorship W1988586411A5081528222 @default.
- W1988586411 hasConcept C101848323 @default.
- W1988586411 hasConcept C121332964 @default.
- W1988586411 hasConcept C13280743 @default.
- W1988586411 hasConcept C168167062 @default.
- W1988586411 hasConcept C173608175 @default.
- W1988586411 hasConcept C181500209 @default.
- W1988586411 hasConcept C184779094 @default.
- W1988586411 hasConcept C185798385 @default.
- W1988586411 hasConcept C205649164 @default.
- W1988586411 hasConcept C2777529809 @default.
- W1988586411 hasConcept C2778755073 @default.
- W1988586411 hasConcept C41008148 @default.
- W1988586411 hasConcept C459310 @default.
- W1988586411 hasConcept C48044578 @default.
- W1988586411 hasConcept C62520636 @default.
- W1988586411 hasConcept C68339613 @default.
- W1988586411 hasConcept C77088390 @default.
- W1988586411 hasConceptScore W1988586411C101848323 @default.
- W1988586411 hasConceptScore W1988586411C121332964 @default.
- W1988586411 hasConceptScore W1988586411C13280743 @default.
- W1988586411 hasConceptScore W1988586411C168167062 @default.
- W1988586411 hasConceptScore W1988586411C173608175 @default.