SwePub
Sök i SwePub databas

  Extended search

Träfflista för sökning "id:"swepub:oai:DiVA.org:kth-324999" "

Search: id:"swepub:oai:DiVA.org:kth-324999"

  • Result 1-1 of 1
Sort/group result
   
EnumerationReferenceCoverFind
1.
  • Scheurer, Maximilian, et al. (author)
  • Solving response expressions in the ADC/ISR framework
  • 2023
  • In: Journal of Chemical Physics. - : AIP Publishing. - 0021-9606 .- 1089-7690. ; 158:8, s. 084105-
  • Journal article (peer-reviewed)abstract
    • We present an implementation for the calculation of molecular response properties using the algebraic-diagrammatic construction (ADC)/intermediate state representation approach. For the second-order ADC model [ADC(2)], a memory-efficient ansatz avoiding the storage of double excitation amplitudes is investigated. We compare the performance of different numerical algorithms for the solution of the underlying response equations for ADC(2) and show that our approach also strongly improves the convergence behavior for the investigated algorithms compared with the standard implementation. All routines are implemented in an open-source Python library.
  •  
Skapa referenser, mejla, bekava och länka
  • Result 1-1 of 1
Type of publication
journal article (1)
Type of content
peer-reviewed (1)
Author/Editor
Norman, Patrick (1)
Fransson, Thomas (1)
Dreuw, Andreas (1)
Rehn, Dirk R. (1)
Scheurer, Maximilian (1)
Papapostolou, Antoni ... (1)
University
Royal Institute of Technology (1)
Language
English (1)
Research subject (UKÄ/SCB)
Natural sciences (1)
Year
2023 (1)

Kungliga biblioteket hanterar dina personuppgifter i enlighet med EU:s dataskyddsförordning (2018), GDPR. Läs mer om hur det funkar här.
Så här hanterar KB dina uppgifter vid användning av denna tjänst.

 
pil uppåt Close

Copy and save the link in order to return to this view