A time-dependent quantum dynamical study of the C + ( 2 P) + H 2 (D 2 ,HD) → CH + (CD + ) + H(D) reaction
Sign Up to like & getrecommendations! Published in 2017 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2017.09.056
Abstract: Abstract We present time-dependent quantum wave packet calculations for the C + ( 2 P) + H 2 (D 2 ,HD) → CH + (CD + ) + H(D) reactions on the ground 1 2 A ′ potential energy surface developed… read more here.
Keywords: dynamical study; time dependent; reaction; dependent quantum ... See more keywords
A time-dependent quantum dynamical study of H + AuH reaction
Sign Up to like & getrecommendations! Published in 2020 at "Chemical Physics Letters"
DOI: 10.1016/j.cplett.2020.137295
Abstract: Abstract We performed the first time-dependent wave packet calculations on H + HAu → Au + H2/ H + HAu reaction using the ground potential energy surface (2A') constructed by Zanchet' et al. For studying the mechanism of the title reaction, the reaction… read more here.
Keywords: dynamical study; time dependent; reaction; dependent quantum ... See more keywords
Consistency of local density approximations and quantum corrections for time-dependent quantum systems
Sign Up to like & getrecommendations! Published in 2019 at "Applicable Analysis"
DOI: 10.1080/00036811.2019.1573988
Abstract: ABSTRACT Time-dependent quantum systems are the subject of intense inquiry, in mathematics, science, and engineering, particularly at the atomic and molecular levels. In 1984, Runge and Gross introduced time-dependent density functional theory, a non-interacting electron… read more here.
Keywords: time; density; time dependent; quantum corrections ... See more keywords
Integrable Time-Dependent Quantum Hamiltonians.
Sign Up to like & getrecommendations! Published in 2018 at "Physical review letters"
DOI: 10.1103/physrevlett.120.190402
Abstract: We formulate a set of conditions under which the nonstationary Schrödinger equation with a time-dependent Hamiltonian is exactly solvable analytically. The main requirement is the existence of a non-Abelian gauge field with zero curvature in… read more here.
Keywords: quantum hamiltonians; time; integrable time; time dependent ... See more keywords