Matches in SemOpenAlex for { <https://semopenalex.org/work/W3094303712> ?p ?o ?g. }
- W3094303712 abstract "Density matrix perturbation theory (DMPT) is known as a promising alternative to the Rayleigh-Schrodinger perturbation theory, in which the sum-over-state (SOS) is replaced by algorithms with perturbed density matrices as the input variables. In this article, we formulate and discuss three types of DMPT, with two of them based only on density matrices: the approach of Kussmann and Ochsenfeld [J. Chem. Phys.127, 054103 (2007)] is reformulated via the Sylvester equation, and the recursive DMPT of A.M.N. Niklasson and M. Challacombe [Phys. Rev. Lett. 92, 193001 (2004)] is extended to the hole-particle canonical purification (HPCP) from [J. Chem. Phys. 144, 091102 (2016)]. Comparison of the computational performances shows that the aformentioned methods outperform the standard SOS. The HPCP-DMPT demonstrates stable convergence profiles but at a higher computational cost when compared to the original recursive polynomial method" @default.
- W3094303712 created "2020-10-29" @default.
- W3094303712 creator A5065566601 @default.
- W3094303712 creator A5084105929 @default.
- W3094303712 creator A5090949402 @default.
- W3094303712 date "2020-10-23" @default.
- W3094303712 modified "2023-10-16" @default.
- W3094303712 title "Notes on density matrix perturbation theory" @default.
- W3094303712 cites W1483386803 @default.
- W3094303712 cites W1550186202 @default.
- W3094303712 cites W1566075797 @default.
- W3094303712 cites W1964337872 @default.
- W3094303712 cites W1966406013 @default.
- W3094303712 cites W1975835782 @default.
- W3094303712 cites W1976008838 @default.
- W3094303712 cites W1976808103 @default.
- W3094303712 cites W1978298420 @default.
- W3094303712 cites W1981232347 @default.
- W3094303712 cites W1983544275 @default.
- W3094303712 cites W1985559920 @default.
- W3094303712 cites W1986751761 @default.
- W3094303712 cites W1992684511 @default.
- W3094303712 cites W1992924305 @default.
- W3094303712 cites W1995469798 @default.
- W3094303712 cites W1999231555 @default.
- W3094303712 cites W1999696362 @default.
- W3094303712 cites W2000873660 @default.
- W3094303712 cites W2003224082 @default.
- W3094303712 cites W2003597232 @default.
- W3094303712 cites W2004333219 @default.
- W3094303712 cites W2007395042 @default.
- W3094303712 cites W2009596258 @default.
- W3094303712 cites W2010632296 @default.
- W3094303712 cites W2011659083 @default.
- W3094303712 cites W2013308529 @default.
- W3094303712 cites W2013455311 @default.
- W3094303712 cites W2014003741 @default.
- W3094303712 cites W2017242286 @default.
- W3094303712 cites W2024843945 @default.
- W3094303712 cites W2027011380 @default.
- W3094303712 cites W2027353946 @default.
- W3094303712 cites W2037783202 @default.
- W3094303712 cites W2040967041 @default.
- W3094303712 cites W2043292758 @default.
- W3094303712 cites W2045843198 @default.
- W3094303712 cites W2051557041 @default.
- W3094303712 cites W2054164390 @default.
- W3094303712 cites W2054960930 @default.
- W3094303712 cites W2057936594 @default.
- W3094303712 cites W2066334322 @default.
- W3094303712 cites W2074798388 @default.
- W3094303712 cites W2082050320 @default.
- W3094303712 cites W2083222334 @default.
- W3094303712 cites W2084688575 @default.
- W3094303712 cites W2087609676 @default.
- W3094303712 cites W2088748973 @default.
- W3094303712 cites W2089428003 @default.
- W3094303712 cites W2092821250 @default.
- W3094303712 cites W2098432400 @default.
- W3094303712 cites W2105054808 @default.
- W3094303712 cites W2120145199 @default.
- W3094303712 cites W2132701264 @default.
- W3094303712 cites W2147687413 @default.
- W3094303712 cites W2148080533 @default.
- W3094303712 cites W2156115804 @default.
- W3094303712 cites W2157774513 @default.
- W3094303712 cites W2162829872 @default.
- W3094303712 cites W2165787742 @default.
- W3094303712 cites W2318319753 @default.
- W3094303712 cites W2322151118 @default.
- W3094303712 cites W2480611454 @default.
- W3094303712 cites W3005610174 @default.
- W3094303712 cites W3045905984 @default.
- W3094303712 cites W3103756501 @default.
- W3094303712 cites W4242892478 @default.
- W3094303712 cites W4298232076 @default.
- W3094303712 doi "https://doi.org/10.1063/5.0022244" @default.
- W3094303712 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/33138442" @default.
- W3094303712 hasPublicationYear "2020" @default.
- W3094303712 type Work @default.
- W3094303712 sameAs 3094303712 @default.
- W3094303712 citedByCount "3" @default.
- W3094303712 countsByYear W30943037122022 @default.
- W3094303712 countsByYear W30943037122023 @default.
- W3094303712 crossrefType "journal-article" @default.
- W3094303712 hasAuthorship W3094303712A5065566601 @default.
- W3094303712 hasAuthorship W3094303712A5084105929 @default.
- W3094303712 hasAuthorship W3094303712A5090949402 @default.
- W3094303712 hasBestOaLocation W30943037122 @default.
- W3094303712 hasConcept C106487976 @default.
- W3094303712 hasConcept C121332964 @default.
- W3094303712 hasConcept C152365726 @default.
- W3094303712 hasConcept C159985019 @default.
- W3094303712 hasConcept C174256460 @default.
- W3094303712 hasConcept C177918212 @default.
- W3094303712 hasConcept C192562407 @default.
- W3094303712 hasConcept C37914503 @default.
- W3094303712 hasConcept C56911000 @default.
- W3094303712 hasConcept C62520636 @default.
- W3094303712 hasConcept C84114770 @default.