Transient spectroscopy from time-dependent electronic-structure theory without multipole expansions

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 semi-classical approximation. Avoiding multipole expansions, a computationally viable expression for the...

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Veröffentlicht in:	arXiv.org 2023-07
Hauptverfasser:	Aurbakken, Einar, Benedicte Sverdrup Ofstad, Kristiansen, Håkon Emil, Schøyen, Øyvind Sigmundson, Kvaal, Simen, Sørensen, Lasse Kragh, Lindh, Roland, Pedersen, Thomas Bondo
Format:	Artikel
Sprache:	eng
Schlagworte:	Absorption spectroscopy Approximation Configuration interaction Dichroism Dipoles Electromagnetic fields Electronic structure Electronic systems Hamiltonian functions Mathematical analysis Multipoles Physics - Chemical Physics Response functions Simulation Spectral sensitivity Time dependence Vector potentials Wave functions
Online-Zugang:	Volltext
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