FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2810875616> ?p ?o ?g. }

• W2810875616 endingPage "2159" @default.
• W2810875616 startingPage "2139" @default.
• W2810875616 abstract "Recent advances in selected CI, including the adaptive sampling configuration interaction (ASCI) algorithm and its heat bath extension, have made the ASCI approach competitive with the most accurate techniques available, and hence an increasingly powerful tool in solving quantum Hamiltonians. In this work, we show that a useful paradigm for generating efficient selected CI/exact diagonalization algorithms is driven by fast sorting algorithms, much in the same way iterative diagonalization is based on the paradigm of matrix vector multiplication. We present several new algorithms for all parts of performing a selected CI, which includes new ASCI search, dynamic bit masking, fast orbital rotations, fast diagonal matrix elements, and residue arrays. The algorithms presented here are fast and scalable, and we find that because they are built on fast sorting algorithms they are more efficient than all other approaches we considered. After introducing these techniques we present ASCI results applied to a large range of systems and basis sets in order to demonstrate the types of simulations that can be practically treated at the full-CI level with modern methods and hardware, presenting double- and triple-zeta benchmark data for the G1 dataset. The largest of these calculations is Si$_{2}$H$_{6}$ which is a simulation of 34 electrons in 152 orbitals. We also present some preliminary results for fast deterministic perturbation theory simulations that use hash functions to maintain high efficiency for treating large basis sets." @default.
• W2810875616 created "2018-07-10" @default.
• W2810875616 creator A5011198932 @default.
• W2810875616 creator A5012702521 @default.
• W2810875616 creator A5015311244 @default.
• W2810875616 creator A5019265176 @default.
• W2810875616 creator A5034530544 @default.
• W2810875616 creator A5065784246 @default.
• W2810875616 date "2020-03-11" @default.
• W2810875616 modified "2023-10-11" @default.
• W2810875616 title "Modern Approaches to Exact Diagonalization and Selected Configuration Interaction with the Adaptive Sampling CI Method" @default.
• W2810875616 cites W1482410246 @default.
• W2810875616 cites W1493695041 @default.
• W2810875616 cites W1539897885 @default.
• W2810875616 cites W1605570615 @default.
• W2810875616 cites W1965288006 @default.
• W2810875616 cites W1971392379 @default.
• W2810875616 cites W1976935265 @default.
• W2810875616 cites W1986037653 @default.
• W2810875616 cites W1987587940 @default.
• W2810875616 cites W1991267646 @default.
• W2810875616 cites W1998033247 @default.
• W2810875616 cites W2004333877 @default.
• W2810875616 cites W2014894160 @default.
• W2810875616 cites W2015079459 @default.
• W2810875616 cites W2015079809 @default.
• W2810875616 cites W2016407890 @default.
• W2810875616 cites W2026172453 @default.
• W2810875616 cites W2026197150 @default.
• W2810875616 cites W2028302592 @default.
• W2810875616 cites W2033134911 @default.
• W2810875616 cites W2033911317 @default.
• W2810875616 cites W2033958197 @default.
• W2810875616 cites W2035093537 @default.
• W2810875616 cites W2036166425 @default.
• W2810875616 cites W2038451362 @default.
• W2810875616 cites W2039641822 @default.
• W2810875616 cites W2041119615 @default.
• W2810875616 cites W2047595481 @default.
• W2810875616 cites W2048312879 @default.
• W2810875616 cites W2055363965 @default.
• W2810875616 cites W2057538102 @default.
• W2810875616 cites W2058671588 @default.
• W2810875616 cites W2061661246 @default.
• W2810875616 cites W2064782054 @default.
• W2810875616 cites W2066284967 @default.
• W2810875616 cites W2075463444 @default.
• W2810875616 cites W2093904978 @default.
• W2810875616 cites W2097609461 @default.
• W2810875616 cites W2133386459 @default.
• W2810875616 cites W2138309726 @default.
• W2810875616 cites W2154815292 @default.
• W2810875616 cites W2158603912 @default.
• W2810875616 cites W2166350897 @default.
• W2810875616 cites W2174219632 @default.
• W2810875616 cites W2234893537 @default.
• W2810875616 cites W2254639018 @default.
• W2810875616 cites W2317595872 @default.
• W2810875616 cites W2322111697 @default.
• W2810875616 cites W2323175157 @default.
• W2810875616 cites W2329118757 @default.
• W2810875616 cites W2330445947 @default.
• W2810875616 cites W2464791347 @default.
• W2810875616 cites W2570449890 @default.
• W2810875616 cites W2591802119 @default.
• W2810875616 cites W2592893046 @default.
• W2810875616 cites W2598728156 @default.
• W2810875616 cites W2639728117 @default.
• W2810875616 cites W2743883341 @default.
• W2810875616 cites W2747903657 @default.
• W2810875616 cites W2755159604 @default.
• W2810875616 cites W2963486271 @default.
• W2810875616 cites W2963967313 @default.
• W2810875616 cites W2970855335 @default.
• W2810875616 cites W2977358950 @default.
• W2810875616 cites W3098613609 @default.
• W2810875616 cites W3099080001 @default.
• W2810875616 cites W3099911994 @default.
• W2810875616 cites W3102376334 @default.
• W2810875616 cites W3102927675 @default.
• W2810875616 cites W3103406660 @default.
• W2810875616 cites W3103758130 @default.
• W2810875616 cites W3104538735 @default.
• W2810875616 cites W3104541857 @default.
• W2810875616 cites W3104577764 @default.
• W2810875616 cites W3104579120 @default.
• W2810875616 cites W3105047985 @default.
• W2810875616 cites W3105649089 @default.
• W2810875616 cites W3105960824 @default.
• W2810875616 cites W3106327456 @default.
• W2810875616 cites W3106481551 @default.
• W2810875616 cites W3124850545 @default.
• W2810875616 cites W4230020727 @default.
• W2810875616 cites W4242304710 @default.
• W2810875616 cites W4251658412 @default.
• W2810875616 doi "https://doi.org/10.1021/acs.jctc.8b00536" @default.
• W2810875616 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/32159951" @default.
• W2810875616 hasPublicationYear "2020" @default.

• next