Linear and nonlinear optical properties from TDOMP2 theory

In this work we present a derivation of the real-time time-dependent orbital-optimized Møller-Plesser TDOMP2 and its biorthogonal companion, time-dependent non-orthogonal OMP2 (TDNOMP2), theory starting from the time-dependent bivariational principle and a parametrization based on the exponential or...

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Veröffentlicht in:	arXiv.org 2022-04
Hauptverfasser:	Kristiansen, Håkon Emil, Benedicte Sverdrup Ofstad, Hauge, Eirill, Aurbakken, Einar, Schøyen, Øyvind Sigmundson, Kvaal, Simen, Pedersen, Thomas Bondo
Format:	Artikel
Sprache:	eng
Schlagworte:	Absorption spectra Electronic structure Molecular structure Optical properties Parameterization Physics - Chemical Physics Real time Simulation Time dependence
Online-Zugang:	Volltext
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