Studying molecular quantum dynamics with the multiconfiguration time‐dependent Hartree method
HD Meyer - Wiley Interdisciplinary Reviews: Computational …, 2012 - Wiley Online Library
This review covers the multiconfiguration time‐dependent Hartree (MCTDH) method, which
is a powerful and general algorithm for solving the time‐dependent Schrödinger equation …
is a powerful and general algorithm for solving the time‐dependent Schrödinger equation …
Excited electronic states and nonadiabatic effects in contemporary chemical dynamics
S Mahapatra - Accounts of Chemical Research, 2009 - ACS Publications
The question of how to describe the crossing of molecular electronic states is one of the
most challenging issues in contemporary chemical dynamics. In recent years, the …
most challenging issues in contemporary chemical dynamics. In recent years, the …
On the higher-order T 2⊗(e+ t 2) Jahn–Teller coupling effects in the photodetachment spectrum of the alanate anion (AlH 4−)
T Mondal - Physical Chemistry Chemical Physics, 2018 - pubs.rsc.org
The static and dynamic aspects of the T2⊗(e+ t2) Jahn–Teller coupling effects in the 2T2
electronic state of the AlH4 radical are investigated theoretically by probing the first …
electronic state of the AlH4 radical are investigated theoretically by probing the first …
The Jahn–Teller effect in the ground electronic state of the tetrafluoromethane cation before dissociation: a promoter of the anisotropic fragmentation
S Sen, T Mondal - Molecular Physics, 2019 - Taylor & Francis
The role of multimode T 1⊗(e+ t 2) Jahn–Teller coupling effect on the anisotropic
fragmentation of CF 4+ in its X~ 2 T 1 electronic state is investigated theoretically via an ab …
fragmentation of CF 4+ in its X~ 2 T 1 electronic state is investigated theoretically via an ab …
(B+ E⊗ b)⊗ e Jahn–Teller and pseudo-Jahn–Teller effects in the spiropentane radical cation
In this paper we examine the Jahn–Teller (JT) and pseudo-Jahn–Teller (PJT) effects in the
spiropentane radical cation (SP+) by an ab initio quantum dynamical method. Spiropentane …
spiropentane radical cation (SP+) by an ab initio quantum dynamical method. Spiropentane …
[PDF][PDF] Nonadiabatic quantum dynamics of aromatic hydrocarbon radicals and radical cations
VS Reddy - 2010 - chemistry.uohyd.ac.in
The interactions between the nuclear and electronic motions are termed as vibronic
interactions and their consideration is essential at the degeneracy and near degeneracy of …
interactions and their consideration is essential at the degeneracy and near degeneracy of …
On the Vibronic Interactions in Aromatic Hydrocarbon Radicals and Radical Cations
VS Reddy, S Mahapatra - The Jahn-Teller Effect: Fundamentals and …, 2009 - Springer
The study of the fate of electronically excited radical and radical cation of aromatic
hydrocarbons is an emerging topic in modern chemical dynamics. Observations like low …
hydrocarbons is an emerging topic in modern chemical dynamics. Observations like low …