onr:"swepub:oai:DiVA.org:uu-524617"
Search: onr:"swepub:oai:DiVA.org:uu-524617" > Transient spectrosc...
- 1 of 1
- Previous record
- Next record
- To hitlist
Transient spectroscopy from time-dependent electronic-structure theory without multipole expansions
-
- Aurbakken, Einar (author)
- Univ Oslo, Hylleraas Ctr Quantum Mol Sci, Dept Chem, N-0371 Oslo, Norway.
-
- Sverdrup Ofstad, Benedicte (author)
- Univ Oslo, Hylleraas Ctr Quantum Mol Sci, Dept Chem, N-0371 Oslo, Norway.
-
- Kristiansen, Håkon Emil (author)
- Univ Oslo, Hylleraas Ctr Quantum Mol Sci, Dept Chem, N-0371 Oslo, Norway.
- show more...
- show less...
- Univ Oslo, Hylleraas Ctr Quantum Mol Sci, Dept Chem, N-0371 Oslo, Norway Univ Oslo, Dept Phys, N-0371 Oslo, Norway. (creator_code:org_t)
- American Physical Society, 2024
- 2024
- English.
- In: Physical Review A: covering atomic, molecular, and optical physics and quantum information. - : American Physical Society. - 2469-9926 .- 2469-9934. ; 109:1
- Journal article (peer-reviewed)
Abstract
Subject headings
Close
- Based on the work done by an electromagnetic field on an atomic or molecular electronic system, a general gauge-invariant formulation of transient absorption spectroscopy is presented within the semiclassical approximation. Avoiding multipole expansions, a computationally viable expression for the spectral response function is derived from the minimal-coupling Hamiltonian of an electronic system interacting with one or more laser pulses described by a source-free, enveloped electromagnetic vector potential. With a fixed-basis expansion of the electronic wave function, the computational cost of simulations of laser-driven electron dynamics beyond the dipole approximation is the same as simulations adopting the dipole approximation. We illustrate the theory by time-dependent configuration interaction and coupled-cluster simulations of core-level absorption and circular dichroism spectra.
Subject headings
- NATURVETENSKAP -- Kemi -- Teoretisk kemi (hsv//swe)
- NATURAL SCIENCES -- Chemical Sciences -- Theoretical Chemistry (hsv//eng)
Publication and Content Type
- ref (subject category)
- art (subject category)
Find in a library
- Physical Review A: covering atomic, molecular, and optical physics and quantum i... (Search for host publication in LIBRIS)
To the university's database
- 1 of 1
- Previous record
- Next record
- To hitlist
Find more in SwePub
- By the author/editor
- Aurbakken, Einar
- Sverdrup Ofstad, ...
- Kristiansen, Håk ...
- Sigmundson Schøy ...
- Kvaal, Simen
- Kragh Sørensen, ...
- show more...
- Lindh, Roland, P ...
- Bondo Pedersen, ...
- show less...
- About the subject
-
- NATURAL SCIENCES
- NATURAL SCIENCES
- and Chemical Science ...
- and Theoretical Chem ...
- Articles in the publication
- Physical Review ...
- By the university
- Uppsala University
Search outside SwePub
- Extend your search to:
- Google Book Search
- Google Scholar
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.
- Copyright © LIBRIS - National Library Systems
- LIBRIS.kb.se
