Vote for your favorite mineral in #MinCup25! - Zunyite vs. Molybdenite
It's the visually-unmistakable #zunyite vs the physically funky #molybdenite.
Log InRegister
Quick Links : The Mindat ManualThe Rock H. Currier Digital LibraryMindat Newsletter [Free Download]
Home PageAbout MindatThe Mindat ManualHistory of MindatCopyright StatusWho We AreContact UsAdvertise on Mindat
Donate to MindatCorporate SponsorshipSponsor a PageSponsored PagesMindat AdvertisersAdvertise on Mindat
Learning CenterWhat is a mineral?The most common minerals on earthInformation for EducatorsMindat ArticlesThe ElementsThe Rock H. Currier Digital LibraryGeologic Time
Minerals by PropertiesMinerals by ChemistryAdvanced Locality SearchRandom MineralRandom LocalitySearch by minIDLocalities Near MeSearch ArticlesSearch GlossaryMore Search Options
Search For:
Mineral Name:
Locality Name:
Keyword(s):
 
The Mindat ManualAdd a New PhotoRate PhotosLocality Edit ReportCoordinate Completion ReportAdd Glossary Item
Mining CompaniesStatisticsUsersMineral MuseumsClubs & OrganizationsMineral Shows & EventsThe Mindat DirectoryDevice SettingsThe Mineral Quiz
Photo SearchPhoto GalleriesSearch by ColorNew Photos TodayNew Photos YesterdayMembers' Photo GalleriesPast Photo of the Day GalleryPhotography

Woźniak, Aleksander P., Adamowicz, Ludwik, Pedersen, Thomas Bondo, Kvaal, Simen (2024) Gaussians for Electronic and Rovibrational Quantum Dynamics. The Journal of Physical Chemistry A, 128 (18) 3659-3671 doi:10.1021/acs.jpca.4c00364

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleGaussians for Electronic and Rovibrational Quantum Dynamics
JournalThe Journal of Physical Chemistry A
AuthorsWoźniak, Aleksander P.Author
Adamowicz, LudwikAuthor
Pedersen, Thomas BondoAuthor
Kvaal, SimenAuthor
Year2024 (May 9)Volume128
Issue18
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/acs.jpca.4c00364Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID17382456Long-form Identifiermindat:1:5:17382456:8
GUID0
Full ReferenceWoźniak, Aleksander P., Adamowicz, Ludwik, Pedersen, Thomas Bondo, Kvaal, Simen (2024) Gaussians for Electronic and Rovibrational Quantum Dynamics. The Journal of Physical Chemistry A, 128 (18) 3659-3671 doi:10.1021/acs.jpca.4c00364
Plain TextWoźniak, Aleksander P., Adamowicz, Ludwik, Pedersen, Thomas Bondo, Kvaal, Simen (2024) Gaussians for Electronic and Rovibrational Quantum Dynamics. The Journal of Physical Chemistry A, 128 (18) 3659-3671 doi:10.1021/acs.jpca.4c00364
In(2024, May) The Journal of Physical Chemistry A Vol. 128 (18) American Chemical Society (ACS)

See Also

These are possibly similar items as determined by title/reference text matching only.

Woźniak, Aleksander P.; Adamowicz, Ludwik; Pedersen, Thomas Bondo; Kvaal, Simen (2025) Rothe Time Propagation for Coupled Electronic and Rovibrational Quantum Dynamics. The Journal of Physical Chemistry A, 129 (24). doi:10.1021/acs.jpca.5c01732
Kristiansen, Håkon Emil, Kvernmoen, Håkon, Kvaal, Simen, Pedersen, Thomas Bondo (2025) Configuration Weights in Coupled-Cluster Theory. The Journal of Physical Chemistry A, 129 (10). doi:10.1021/acs.jpca.4c07443
Kvaal, Simen; Fredheim, Håkon Richard; Højlund, Mads Greisen; Pedersen, Thomas Bondo (2025) Time-dependent Bivariational Principle: Theoretical Foundation for Real-Time Propagation Methods of Coupled-Cluster Type. The Journal of Physical Chemistry A, 129 (15). doi:10.1021/acs.jpca.4c07417
Faulstich, Fabian M., Kristiansen, Håkon E., Csirik, Mihaly A., Kvaal, Simen, Pedersen, Thomas Bondo, Laestadius, Andre (2023) S-Diagnostic─An a Posteriori Error Assessment for Single-Reference Coupled-Cluster Methods. The Journal of Physical Chemistry A, 127 (43) 9106-9120 doi:10.1021/acs.jpca.3c01575
Schrader, Simon Elias, Pedersen, Thomas Bondo, Kvaal, Simen (2025) Multidimensional quantum dynamics with explicitly correlated Gaussian wave packets using Rothe’s method. The Journal of Chemical Physics, 162 (2). doi:10.1063/5.0247732
Pedersen, Thomas Bondo, Kvaal, Simen (2019) Symplectic integration and physical interpretation of time-dependent coupled-cluster theory. The Journal of Chemical Physics, 150 (14). 144106pp. doi:10.1063/1.5085390
Aurbakken, Einar, Ofstad, Benedicte Sverdrup, Kristiansen, Håkon Emil, Schøyen, Øyvind Sigmundson, Kvaal, Simen, Sørensen, Lasse Kragh, Lindh, Roland, Pedersen, Thomas Bondo (2024) Transient spectroscopy from time-dependent electronic-structure theory without multipole expansions. Physical Review A, 109 (1). doi:10.1103/physreva.109.013109
Kristiansen, Håkon Emil, Schøyen, Øyvind Sigmundson, Kvaal, Simen, Pedersen, Thomas Bondo (2020) Numerical stability of time-dependent coupled-cluster methods for many-electron dynamics in intense laser pulses. The Journal of Chemical Physics, 152 (7). 71102pp. doi:10.1063/1.5142276
Ofstad, Benedicte Sverdrup, Kristiansen, Håkon Emil, Aurbakken, Einar, Schøyen, Øyvind Sigmundson, Kvaal, Simen, Pedersen, Thomas Bondo (2023) Adiabatic extraction of nonlinear optical properties from real-time time-dependent electronic-structure theory. The Journal of Chemical Physics, 158 (15) 154102 doi:10.1063/5.0145521
Schrader, Simon Elias, Kristiansen, Håkon Emil, Pedersen, Thomas Bondo, Kvaal, Simen (2024) Time evolution as an optimization problem: The hydrogen atom in strong laser fields in a basis of time-dependent Gaussian wave packets. The Journal of Chemical Physics, 161 (4) doi:10.1063/5.0213576
Woźniak, Aleksander P., Moszyński, Robert (2024) Modeling of High-Harmonic Generation in the C60 Fullerene Using Ab Initio, DFT-Based, and Semiempirical Methods. The Journal of Physical Chemistry A, 128 (14) 2683-2702 doi:10.1021/acs.jpca.3c07865
 
and/or  
Mindat.org is an outreach project of the Hudson Institute of Mineralogy, a 501(c)(3) not-for-profit organization.
Copyright © mindat.org and the Hudson Institute of Mineralogy 1993-2025, except where stated. Most political location boundaries are © OpenStreetMap contributors. Mindat.org relies on the contributions of thousands of members and supporters. Founded in 2000 by Jolyon Ralph.
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
Privacy Policy - Terms & Conditions - Contact Us / DMCA issues - Report a bug/vulnerability Current server date and time: September 12, 2025 21:07:08
Go to top of page