Optical conversion of conical intersection to avoided crossing

被引：30
作者：
Arasaki, Yasuki [1 ]
Takatsuka, Kazuo [1 ]
机构：
[1] Univ Tokyo, Dept Basic Sci, Grad Sch Arts & Sci, Tokyo 1538902, Japan
来源：
PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2010年 / 12卷 / 06期
关键词：
SCHRODINGER-EQUATION; ELECTRONIC-STRUCTURE; NO2; DYNAMICS; STATES; MODEL; PHOTOISOMERIZATION; PHOTODISSOCIATION; WAVEPACKET; PHASE;
D O I：
10.1039/b919504a
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
We study a mechanism by which a symmetry-allowed conical intersection is converted to an avoided crossing by external breaking of symmetry. With full quantum dynamics on coupled ab inito potential energy surfaces for an NO2 molecule under a phase controlled far-infrared femtosecond pulse field, we demonstrate that symmetry breaking thus-introduced can indeed convert the conical intersection to an avoided crossing, thereby drastically influencing population transfer through it.
引用
收藏
页码：1239 / 1242
页数：4
相关论文
共 33 条
  • [1] Geometric phase effects in the coherent control of the branching ratio of photodissociation products of phenol
    Abe, Mayumi
    Ohtsuki, Yukiyoshi
    Fujimura, Yuichi
    Lan, Zhenggang
    Domcke, Wolfgang
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2006, 124 (22)
  • [2] Molecular Symmetry Properties of Conical Intersections and Nonadiabatic Coupling Terms: Theory and Quantum Chemical Demonstration for Cyclopenta-2,4-dienimine (C5H4NH)
    Al-Jabour, S.
    Baer, M.
    Deeb, O.
    Leibscher, M.
    Manz, J.
    Xu, X.
    Zilberg, S.
    [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2010, 114 (09) : 2991 - 3010
  • [3] Solvent effect on the conical intersection of 4-cyclopentadienylidene-1,4-dihydropyridine (CPDHP)
    Alfalah, S.
    Deeb, O.
    Zilberg, S.
    Haas, Y.
    [J]. CHEMICAL PHYSICS LETTERS, 2008, 459 (1-6) : 100 - 104
  • [4] THE EVOLUTION OF THE WAVE-FUNCTION IN A CURVE CROSSING PROBLEM COMPUTED BY A FAST FOURIER-TRANSFORM METHOD
    ALVARELLOS, J
    METIU, H
    [J]. JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (08) : 4957 - 4966
  • [5] AMOS RD, 2006, MOLPRO PACKAGE AB IN
  • [6] Quantum wavepacket dynamics for time-resolved photoelectron spectroscopy of the NO2 conical intersection
    Arasaki, Yasuki
    Takatsuka, Kazuo
    [J]. CHEMICAL PHYSICS, 2007, 338 (2-3) : 175 - 185
  • [7] Effect of absolute laser phase on reaction paths in laser-induced chemical reactions
    Bandrauk, AD
    Sedik, EWS
    Matta, CF
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2004, 121 (16) : 7764 - 7775
  • [8] Environmental effects on a conical intersection: A model study
    Burghardt, I
    Cederbaum, LS
    Hynes, JT
    [J]. FARADAY DISCUSSIONS, 2004, 127 : 395 - 411
  • [9] Excited-state charge transfer at a conical intersection: Effects of an environment
    Burghardt, Irene
    Hynes, James T.
    [J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2006, 110 (40) : 11411 - 11423
  • [10] Quantum control of internal conversion in 24-vibrational-mode pyrazine
    Christopher, P. S.
    Shapiro, M.
    Brumer, P.
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (12)
1234