Optimal Mode Combination in the Multiconfiguration Time-Dependent Hartree Method through Multivariate Statistics: Factor Analysis and Hierarchical Clustering.
Sign Up to like & getrecommendations! Published in 2023 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c01089
Abstract: The multiconfiguration time-dependent Hartree (MCTDH) method and its multilayer extension (ML-MCTDH) are powerful algorithms for the efficient computation of nuclear quantum dynamics in high-dimensional systems. By providing time-dependent variational orbitals and an optimal choice of… read more here.
Keywords: time; time dependent; dependent hartree; factor analysis ... See more keywords
Efficient simulation of multielectron dynamics in molecules under intense laser pulses: implementation of the multiconfiguration time-dependent Hartree–Fock method based on the adaptive finite element method
Sign Up to like & getrecommendations! Published in 2023 at "Canadian Journal of Chemistry"
DOI: 10.1139/cjc-2022-0280
Abstract: We present an implementation of the multiconfiguration time-dependent Hartree–Fock method based on the adaptive finite element method for molecules under intense laser pulses. For efficient simulations, orbital functions are propagated by a stable propagator using… read more here.
Keywords: time dependent; implementation multiconfiguration; method; multiconfiguration time ... See more keywords