New implementation of the trajectory surface hopping method with use of the Zhu-Nakamura theory. II. Application to the charge transfer processes in the 3D DH2+ system

ChaoYuan Zhu; Hideyuki Kamisaka; Hiroki Nakamura

doi:10.1063/1.1446032

New implementation of the trajectory surface hopping method with use of the Zhu-Nakamura theory. II. Application to the charge transfer processes in the 3D DH₂⁺ system

ChaoYuan Zhu^*, Hideyuki Kamisaka, Hiroki Nakamura

^*Corresponding author for this work

Department of Applied Chemistry

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

59 Scopus citations

Abstract

The trajectory surface hopping (TSH) method was implemented using the Zhu-Nakamura semiclassical theory of nonadiabatic transition. The method is tested by applying it to charge transfer processes in the 3D DH₂⁺ system. Numerical results showed that the method worked well at all energies and for all initial vibrational states.

Original language	English
Pages (from-to)	3234-3247
Number of pages	14
Journal	Journal of Chemical Physics
Volume	116
Issue number	8
DOIs	https://doi.org/10.1063/1.1446032
State	Published - 22 Feb 2002

Access to Document

10.1063/1.1446032

Link to publication in Scopus

Fingerprint Dive into the research topics of 'New implementation of the trajectory surface hopping method with use of the Zhu-Nakamura theory. II. Application to the charge transfer processes in the 3D DH<sub>2</sub><sup>+</sup> system'. Together they form a unique fingerprint.

Cite this

@article{462f903877bd470591658946e398e3ab,

title = "New implementation of the trajectory surface hopping method with use of the Zhu-Nakamura theory. II. Application to the charge transfer processes in the 3D DH2+ system",

abstract = "The trajectory surface hopping (TSH) method was implemented using the Zhu-Nakamura semiclassical theory of nonadiabatic transition. The method is tested by applying it to charge transfer processes in the 3D DH2+ system. Numerical results showed that the method worked well at all energies and for all initial vibrational states.",

author = "ChaoYuan Zhu and Hideyuki Kamisaka and Hiroki Nakamura",

year = "2002",

month = feb,

day = "22",

doi = "10.1063/1.1446032",

language = "English",

volume = "116",

pages = "3234--3247",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "8",

}

TY - JOUR

T1 - New implementation of the trajectory surface hopping method with use of the Zhu-Nakamura theory. II. Application to the charge transfer processes in the 3D DH2+ system

AU - Zhu, ChaoYuan

AU - Kamisaka, Hideyuki

AU - Nakamura, Hiroki

PY - 2002/2/22

Y1 - 2002/2/22

N2 - The trajectory surface hopping (TSH) method was implemented using the Zhu-Nakamura semiclassical theory of nonadiabatic transition. The method is tested by applying it to charge transfer processes in the 3D DH2+ system. Numerical results showed that the method worked well at all energies and for all initial vibrational states.

AB - The trajectory surface hopping (TSH) method was implemented using the Zhu-Nakamura semiclassical theory of nonadiabatic transition. The method is tested by applying it to charge transfer processes in the 3D DH2+ system. Numerical results showed that the method worked well at all energies and for all initial vibrational states.

UR - http://www.scopus.com/inward/record.url?scp=0037154570&partnerID=8YFLogxK

U2 - 10.1063/1.1446032

DO - 10.1063/1.1446032

M3 - Article

AN - SCOPUS:0037154570

VL - 116

SP - 3234

EP - 3247

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 8

ER -