Multiconfiguration time-dependent self-consistent field approximation for curve crossing in presence of a bath. A fast fourier transform study

Zvi Kotler; Abraham Nitzan; R. Kosloff

doi:10.1016/0009-2614(88)85247-3

Multiconfiguration time-dependent self-consistent field approximation for curve crossing in presence of a bath. A fast fourier transform study

Zvi Kotler^*
, Abraham Nitzan
, R. Kosloff

^*Corresponding author for this work

Institute of Chemistry

Research output: Contribution to journal › Article › peer-review

104 Scopus citations

Abstract

The applicability of the multiconfiguration time-dependent self-consistent field approximation (MCTDSCF) for the dynamics of curve crossing processes under the influence of "external" degrees of freedom is tested on a simple model. The fast Fourier transform (FFT) algorithm for solving the time-dependent Schrödinger equation is used to solve the exact equations of motion and the corresponding approximate ones. Good agreement is obtained in adiabatic as well as in non-adiabatic situations.

Original language	English
Pages (from-to)	483-489
Number of pages	7
Journal	Chemical Physics Letters
Volume	153
Issue number	6
DOIs	https://doi.org/10.1016/0009-2614(88)85247-3
State	Published - 30 Dec 1988

Access to Document

10.1016/0009-2614(88)85247-3

Cite this

@article{c71be133feb84b788a0e1681d8733de7,

title = "Multiconfiguration time-dependent self-consistent field approximation for curve crossing in presence of a bath. A fast fourier transform study",

abstract = "The applicability of the multiconfiguration time-dependent self-consistent field approximation (MCTDSCF) for the dynamics of curve crossing processes under the influence of {"}external{"} degrees of freedom is tested on a simple model. The fast Fourier transform (FFT) algorithm for solving the time-dependent Schr{\"o}dinger equation is used to solve the exact equations of motion and the corresponding approximate ones. Good agreement is obtained in adiabatic as well as in non-adiabatic situations.",

author = "Zvi Kotler and Abraham Nitzan and R. Kosloff",

year = "1988",

month = dec,

day = "30",

doi = "10.1016/0009-2614(88)85247-3",

language = "אנגלית",

volume = "153",

pages = "483--489",

journal = "Chemical Physics Letters",

issn = "0009-2614",

publisher = "Elsevier B.V.",

number = "6",

}

TY - JOUR

T1 - Multiconfiguration time-dependent self-consistent field approximation for curve crossing in presence of a bath. A fast fourier transform study

AU - Kotler, Zvi

AU - Nitzan, Abraham

AU - Kosloff, R.

PY - 1988/12/30

Y1 - 1988/12/30

N2 - The applicability of the multiconfiguration time-dependent self-consistent field approximation (MCTDSCF) for the dynamics of curve crossing processes under the influence of "external" degrees of freedom is tested on a simple model. The fast Fourier transform (FFT) algorithm for solving the time-dependent Schrödinger equation is used to solve the exact equations of motion and the corresponding approximate ones. Good agreement is obtained in adiabatic as well as in non-adiabatic situations.

AB - The applicability of the multiconfiguration time-dependent self-consistent field approximation (MCTDSCF) for the dynamics of curve crossing processes under the influence of "external" degrees of freedom is tested on a simple model. The fast Fourier transform (FFT) algorithm for solving the time-dependent Schrödinger equation is used to solve the exact equations of motion and the corresponding approximate ones. Good agreement is obtained in adiabatic as well as in non-adiabatic situations.

UR - https://www.scopus.com/pages/publications/0000378981

U2 - 10.1016/0009-2614(88)85247-3

DO - 10.1016/0009-2614(88)85247-3

M3 - ???researchoutput.researchoutputtypes.contributiontojournal.article???

AN - SCOPUS:0000378981

SN - 0009-2614

VL - 153

SP - 483

EP - 489

JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 6

ER -

Multiconfiguration time-dependent self-consistent field approximation for curve crossing in presence of a bath. A fast fourier transform study

Abstract

Access to Document

Other files and links

Fingerprint

Cite this