FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W3105607504> ?p ?o ?g. }

• W3105607504 endingPage "124118" @default.
• W3105607504 startingPage "124118" @default.
• W3105607504 abstract "We propose using sum-over-states calculations with the compact wavefunctions of Monte Carlo configuration interaction to approach accurate values for higher-order dipole properties up to second hyperpolarizabilities in a controlled way. We apply the approach to small systems that can generally be compared with full configuration interaction (FCI) results. We consider hydrogen fluoride with a 6-31g basis and then look at results, including frequency dependent properties, in an aug-cc-pVDZ basis. We extend one calculation beyond FCI by using an aug-cc-pVTZ basis. The properties of an H$_{4}$ molecule with multireference character are calculated in an aug-cc-pVDZ basis. We then investigate this method on a strongly multireference system with a larger FCI space by modelling the properties of carbon monoxide with a stretched geometry. The behavior of the approach with increasing basis size is considered by calculating results for the neon atom using aug-cc-pVDZ to aug-cc-pVQZ. We finally test if the unusual change in polarizability between the first two states of molecular oxygen can be reproduced by this method in a 6-31g basis." @default.
• W3105607504 created "2020-11-23" @default.
• W3105607504 creator A5048465219 @default.
• W3105607504 creator A5061905978 @default.
• W3105607504 date "2014-09-28" @default.
• W3105607504 modified "2023-09-29" @default.
• W3105607504 title "Approaching exact hyperpolarizabilities via sum-over-states Monte Carlo configuration interaction" @default.
• W3105607504 cites W1508697289 @default.
• W3105607504 cites W1964164328 @default.
• W3105607504 cites W1965011881 @default.
• W3105607504 cites W1976076051 @default.
• W3105607504 cites W1993694103 @default.
• W3105607504 cites W2004215540 @default.
• W3105607504 cites W2005058856 @default.
• W3105607504 cites W2009815938 @default.
• W3105607504 cites W2012458244 @default.
• W3105607504 cites W2012859402 @default.
• W3105607504 cites W2013624274 @default.
• W3105607504 cites W2014782844 @default.
• W3105607504 cites W2019599572 @default.
• W3105607504 cites W2028302592 @default.
• W3105607504 cites W2030739135 @default.
• W3105607504 cites W2038316995 @default.
• W3105607504 cites W2053773015 @default.
• W3105607504 cites W2058102081 @default.
• W3105607504 cites W2061784864 @default.
• W3105607504 cites W2065650357 @default.
• W3105607504 cites W2070902917 @default.
• W3105607504 cites W2071072703 @default.
• W3105607504 cites W2080766730 @default.
• W3105607504 cites W2083441840 @default.
• W3105607504 cites W2092930273 @default.
• W3105607504 cites W2107173606 @default.
• W3105607504 cites W2131867628 @default.
• W3105607504 cites W2158839151 @default.
• W3105607504 cites W2330282654 @default.
• W3105607504 cites W3099486157 @default.
• W3105607504 doi "https://doi.org/10.1063/1.4896229" @default.
• W3105607504 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/25273423" @default.
• W3105607504 hasPublicationYear "2014" @default.
• W3105607504 type Work @default.
• W3105607504 sameAs 3105607504 @default.
• W3105607504 citedByCount "24" @default.
• W3105607504 countsByYear W31056075042015 @default.
• W3105607504 countsByYear W31056075042016 @default.
• W3105607504 countsByYear W31056075042017 @default.
• W3105607504 countsByYear W31056075042018 @default.
• W3105607504 countsByYear W31056075042019 @default.
• W3105607504 countsByYear W31056075042021 @default.
• W3105607504 countsByYear W31056075042022 @default.
• W3105607504 countsByYear W31056075042023 @default.
• W3105607504 crossrefType "journal-article" @default.
• W3105607504 hasAuthorship W3105607504A5048465219 @default.
• W3105607504 hasAuthorship W3105607504A5061905978 @default.
• W3105607504 hasBestOaLocation W31056075042 @default.
• W3105607504 hasConcept C105795698 @default.
• W3105607504 hasConcept C113603373 @default.
• W3105607504 hasConcept C121332964 @default.
• W3105607504 hasConcept C121864883 @default.
• W3105607504 hasConcept C12426560 @default.
• W3105607504 hasConcept C127765767 @default.
• W3105607504 hasConcept C139287275 @default.
• W3105607504 hasConcept C147597530 @default.
• W3105607504 hasConcept C173523689 @default.
• W3105607504 hasConcept C181500209 @default.
• W3105607504 hasConcept C184779094 @default.
• W3105607504 hasConcept C185592680 @default.
• W3105607504 hasConcept C19499675 @default.
• W3105607504 hasConcept C2524010 @default.
• W3105607504 hasConcept C2776640939 @default.
• W3105607504 hasConcept C2777529809 @default.
• W3105607504 hasConcept C2781311116 @default.
• W3105607504 hasConcept C32909587 @default.
• W3105607504 hasConcept C33923547 @default.
• W3105607504 hasConcept C522602180 @default.
• W3105607504 hasConcept C547737533 @default.
• W3105607504 hasConcept C5917680 @default.
• W3105607504 hasConcept C62520636 @default.
• W3105607504 hasConcept C65956243 @default.
• W3105607504 hasConceptScore W3105607504C105795698 @default.
• W3105607504 hasConceptScore W3105607504C113603373 @default.
• W3105607504 hasConceptScore W3105607504C121332964 @default.
• W3105607504 hasConceptScore W3105607504C121864883 @default.
• W3105607504 hasConceptScore W3105607504C12426560 @default.
• W3105607504 hasConceptScore W3105607504C127765767 @default.
• W3105607504 hasConceptScore W3105607504C139287275 @default.
• W3105607504 hasConceptScore W3105607504C147597530 @default.
• W3105607504 hasConceptScore W3105607504C173523689 @default.
• W3105607504 hasConceptScore W3105607504C181500209 @default.
• W3105607504 hasConceptScore W3105607504C184779094 @default.
• W3105607504 hasConceptScore W3105607504C185592680 @default.
• W3105607504 hasConceptScore W3105607504C19499675 @default.
• W3105607504 hasConceptScore W3105607504C2524010 @default.
• W3105607504 hasConceptScore W3105607504C2776640939 @default.
• W3105607504 hasConceptScore W3105607504C2777529809 @default.
• W3105607504 hasConceptScore W3105607504C2781311116 @default.
• W3105607504 hasConceptScore W3105607504C32909587 @default.
• W3105607504 hasConceptScore W3105607504C33923547 @default.

• next