Zobrazeno 1 - 10
of 3 646
pro vyhledávání: '"LARSSON, HENRIK"'
Autor:
Wahyutama, Imam S., Larsson, Henrik R.
Publikováno v:
Journal of Chemical Theory and Computation, 2024
Compared to ground state electronic structure optimizations, accurate simulations of molecular real-time electron dynamics are usually much more difficult to perform. To simulate electron dynamics, the time-dependent density matrix renormalization gr
Externí odkaz:
http://arxiv.org/abs/2409.05959
Autor:
Larsson, Henrik R., Viel, Alexandra
Publikováno v:
Phys. Chem. Chem. Phys., 2024, 26, 24506 - 24523
The nitrate radical NO$_3$ plays an important role in atmospheric chemistry, yet many aspects of its coupled and anharmonic vibronic structure remain elusive. Here, using an accurate, coupled full-dimensional diabatic potential that includes five ele
Externí odkaz:
http://arxiv.org/abs/2407.03398
Autor:
Larsson, Henrik R.
Publikováno v:
Molecular Physics, 122, e2306881 (2024)
The multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method and the density matrix renormalization group (DMRG) are powerful workhorses applied mostly in different scientific fields. Although both methods are based on tensor network st
Externí odkaz:
http://arxiv.org/abs/2311.12103
Autor:
Zhai, Huanchen, Larsson, Henrik R., Lee, Seunghoon, Cui, Zhi-Hao, Zhu, Tianyu, Sun, Chong, Peng, Linqing, Peng, Ruojing, Liao, Ke, Tölle, Johannes, Yang, Junjie, Li, Shuoxue, Chan, Garnet Kin-Lic
Block2 is an open source framework to implement and perform density matrix renormalization group and matrix product state algorithms. Out-of-the-box it supports the eigenstate, time-dependent, response, and finite-temperature algorithms. In addition,
Externí odkaz:
http://arxiv.org/abs/2310.03920
Autor:
Larsson, Filip, Larsson, Henrik
The study examines the link between the Environmental, Social and Governance (ESG) performance of a company and its cost of debt, measured as credit spreads between corresponding corporate and risk-free government bonds, in Nordic countries between 2
Externí odkaz:
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-506329
Autor:
Larsson, Henrik, Noher, Hugo
Under det senaste decenniet har miljöfrågan blivit ett ständigt växande problem. Fristående organisationer som IPCC, som är FN:s friståendeorgan för att sammanfatta och bedöma vetenskapen relaterad till den globala uppvärmningen, bedömer a
Externí odkaz:
http://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-317442
Autor:
Lindahl, Mattias, Larsson, Henrik
This study was initiated by the authors in order to evaluate the Twister™ method’s environmental pros and cons in relation to other traditional floor care methods using polish and wax. This has been ascertained through a Life Cycle Assessment whi
Externí odkaz:
http://urn.kb.se/resolve?urn=urn:nbn:se:liu:diva-21986
Autor:
Larsson, Henrik R., Schröder, Markus, Beckmann, Richard, Brieuc, Fabien, Schran, Christoph, Marx, Dominik, Vendrell, Oriol
Publikováno v:
Chemical Science, 2022, 13, 11119 - 11125
The infrared (IR) spectra of protonated water clusters encode precise information on the dynamics and structure of the hydrated proton. However, the strong anharmonic coupling and quantum effects of these elusive species remain puzzling up to the pre
Externí odkaz:
http://arxiv.org/abs/2206.12029
Publikováno v:
J. Am. Chem. Soc., 2022, 144, 15932-15937
The complex electronic structure and unusual potential energy curve of the chromium dimer have fascinated scientists for decades, with agreement between theory and experiment so far elusive. Here, we present a new ab initio simulation of the potentia
Externí odkaz:
http://arxiv.org/abs/2206.10738
Autor:
Larsson, Henrik
Alla typer av organisationer är beroende av den kunskap dess medlemmar besitter, samtidigt som kunskap för företag har kommit att bli allt mer av ett konkurrensmedel. För att en organisation ska kunna behålla kunskap krävs att det finns s
Externí odkaz:
http://urn.kb.se/resolve?urn=urn:nbn:se:uu:diva-434111