Cost-Efficient High-Resolution Linear Absorption Spectra through Extrapolating the Dipole Moment from Real-Time Time-Dependent Electronic-Structure Theory-Reference-Cited by-同舟云学术

Cost-Efficient High-Resolution Linear Absorption Spectra through Extrapolating the Dipole Moment from Real-Time Time-Dependent Electronic-Structure Theory

Published:2023-10-24 Issue:21 Volume:19 Page:7764-7775
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Hauge Eirill¹²,Kristiansen Håkon Emil¹^ORCID,Konecny Lukas³⁴^ORCID,Kadek Marius³⁵,Repisky Michal³⁶^ORCID,Pedersen Thomas Bondo¹^ORCID

Affiliation:

1. Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, University of Oslo, P.O. Box 1033, Blindern, 0315 Oslo, Norway

2. Department of Numerical Analysis and Scientific Computing, Simula Research Laboratory, Kristian Augusts Gate 23, 0164 Oslo, Norway

3. Hylleraas Centre for Quantum Molecular Sciences, Department of Chemistry, University of Tromsø─The Arctic University of Norway, N-9037 Tromsø, Norway

4. Center for Free Electron Laser, Max Planck Institute for the Structure and Dynamics of Matter Science, Luruper Chaussee 149, 22761 Hamburg, Germany

5. Department of Physics, Northeastern University, Boston, Massachusetts 02115, United States

6. Department of Physical and Theoretical Chemistry, Faculty of Natural Sciences, Comenius University, Ilkovicova 6, SK-84215 Bratislava, Slovakia

Funder

Norges Forskningsr?d

HORIZON EUROPE Marie Sklodowska-Curie Actions

Agent?ra na Podporu V?skumu a V?voja

Centre for Advanced Study in Oslo, Norway

National Infrastructure for High Performance Computing and Data Storage in Norway

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications