FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2033135959> ?p ?o ?g. }

• W2033135959 endingPage "4676" @default.
• W2033135959 startingPage "4667" @default.
• W2033135959 abstract "We present a revised multi-reference configuration interaction (MRCI) algorithm for balanced and efficient calculation of electronic excitations in molecules. The revision takes up an earlier method, which had been designed for flexible, state-specific, and individual selection (IS) of MRCI expansions, included perturbational corrections (PERT), and used the spin-coupled hole–particle formalism of Tavan and Schulten (1980) for matrix-element evaluation. It removes the deficiencies of this method by introducing tree structures, which code the CI bases and allow us to efficiently exploit the sparseness of the Hamiltonian matrices. The algorithmic complexity is shown to be optimal for IS/MRCI applications. The revised IS/MRCI/PERT module is combined with the effective valence shell Hamiltonian OM2 suggested by Weber and Thiel (2000). This coupling serves the purpose of making excited state surfaces of organic dye molecules accessible to relatively cheap and sufficiently precise descriptions." @default.
• W2033135959 created "2016-06-24" @default.
• W2033135959 creator A5042470831 @default.
• W2033135959 creator A5054645284 @default.
• W2033135959 date "2002-08-21" @default.
• W2033135959 modified "2023-09-27" @default.
• W2033135959 title "A revised MRCI-algorithm. I. Efficient combination of spin adaptation with individual configuration selection coupled to an effective valence-shell Hamiltonian" @default.
• W2033135959 cites W1779083935 @default.
• W2033135959 cites W1965322516 @default.
• W2033135959 cites W1973570552 @default.
• W2033135959 cites W1984943783 @default.
• W2033135959 cites W1987268060 @default.
• W2033135959 cites W1987561572 @default.
• W2033135959 cites W1994910120 @default.
• W2033135959 cites W1997510643 @default.
• W2033135959 cites W2004418875 @default.
• W2033135959 cites W2006530647 @default.
• W2033135959 cites W2014288065 @default.
• W2033135959 cites W2022950330 @default.
• W2033135959 cites W2023339323 @default.
• W2033135959 cites W2024770052 @default.
• W2033135959 cites W2026197150 @default.
• W2033135959 cites W2030976617 @default.
• W2033135959 cites W2033134911 @default.
• W2033135959 cites W2033236872 @default.
• W2033135959 cites W2036166425 @default.
• W2033135959 cites W2039756777 @default.
• W2033135959 cites W2041520609 @default.
• W2033135959 cites W2045220556 @default.
• W2033135959 cites W2045747053 @default.
• W2033135959 cites W2045815313 @default.
• W2033135959 cites W2047187990 @default.
• W2033135959 cites W2050105923 @default.
• W2033135959 cites W2050491811 @default.
• W2033135959 cites W2054096985 @default.
• W2033135959 cites W2060133428 @default.
• W2033135959 cites W2065096041 @default.
• W2033135959 cites W2067950951 @default.
• W2033135959 cites W2074798388 @default.
• W2033135959 cites W2074851716 @default.
• W2033135959 cites W2084135044 @default.
• W2033135959 cites W2087256753 @default.
• W2033135959 cites W2092909165 @default.
• W2033135959 cites W2093590375 @default.
• W2033135959 cites W2132124448 @default.
• W2033135959 cites W2230728100 @default.
• W2033135959 cites W4234830654 @default.
• W2033135959 cites W4234863710 @default.
• W2033135959 cites W4242577369 @default.
• W2033135959 doi "https://doi.org/10.1063/1.1497645" @default.
• W2033135959 hasPublicationYear "2002" @default.
• W2033135959 type Work @default.
• W2033135959 sameAs 2033135959 @default.
• W2033135959 citedByCount "9" @default.
• W2033135959 countsByYear W20331359592012 @default.
• W2033135959 countsByYear W20331359592013 @default.
• W2033135959 countsByYear W20331359592018 @default.
• W2033135959 crossrefType "journal-article" @default.
• W2033135959 hasAuthorship W2033135959A5042470831 @default.
• W2033135959 hasAuthorship W2033135959A5054645284 @default.
• W2033135959 hasConcept C101848323 @default.
• W2033135959 hasConcept C11413529 @default.
• W2033135959 hasConcept C121332964 @default.
• W2033135959 hasConcept C126255220 @default.
• W2033135959 hasConcept C130787639 @default.
• W2033135959 hasConcept C135715101 @default.
• W2033135959 hasConcept C142362112 @default.
• W2033135959 hasConcept C153349607 @default.
• W2033135959 hasConcept C158693339 @default.
• W2033135959 hasConcept C168900304 @default.
• W2033135959 hasConcept C181500209 @default.
• W2033135959 hasConcept C185592680 @default.
• W2033135959 hasConcept C2777529809 @default.
• W2033135959 hasConcept C33923547 @default.
• W2033135959 hasConcept C41008148 @default.
• W2033135959 hasConcept C54848796 @default.
• W2033135959 hasConcept C558565934 @default.
• W2033135959 hasConcept C62520636 @default.
• W2033135959 hasConcept C73301696 @default.
• W2033135959 hasConceptScore W2033135959C101848323 @default.
• W2033135959 hasConceptScore W2033135959C11413529 @default.
• W2033135959 hasConceptScore W2033135959C121332964 @default.
• W2033135959 hasConceptScore W2033135959C126255220 @default.
• W2033135959 hasConceptScore W2033135959C130787639 @default.
• W2033135959 hasConceptScore W2033135959C135715101 @default.
• W2033135959 hasConceptScore W2033135959C142362112 @default.
• W2033135959 hasConceptScore W2033135959C153349607 @default.
• W2033135959 hasConceptScore W2033135959C158693339 @default.
• W2033135959 hasConceptScore W2033135959C168900304 @default.
• W2033135959 hasConceptScore W2033135959C181500209 @default.
• W2033135959 hasConceptScore W2033135959C185592680 @default.
• W2033135959 hasConceptScore W2033135959C2777529809 @default.
• W2033135959 hasConceptScore W2033135959C33923547 @default.
• W2033135959 hasConceptScore W2033135959C41008148 @default.
• W2033135959 hasConceptScore W2033135959C54848796 @default.
• W2033135959 hasConceptScore W2033135959C558565934 @default.
• W2033135959 hasConceptScore W2033135959C62520636 @default.
• W2033135959 hasConceptScore W2033135959C73301696 @default.

• next