QUANTUM WAVEPACKET DYNAMICS ON THE BH 1-SIGMA+ STATES

被引：4

作者：

BROECKHOVE, J ^{[1
]}

FEYEN, B ^{[1
]}

VANLEUVEN, P ^{[1
]}

CIMIRAGLIA, R ^{[1
]}

PERSICO, M ^{[1
]}

机构：

[1] UNIV PISA,INST CHIM FIS,I-56100 PISA,ITALY

来源：

JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS | 1993年 / 26卷 / 23期

关键词：

D O I：

10.1088/0953-4075/26/23/018

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

We investigate the dynamics of the ground state and the first three singlet 1SIGMA+ excited states of BH using the split-operator method. Ab initio calculations show that these states have strong non-adiabatic couplings, resulting in a complex topology of avoided crossing regions and double well potentials. We attempt to find a method to populate the second minimum of B 1SIGMA+ enabling experimental observation of its vibrational states.

引用

页码：4471 / 4482

页数：12

共 50 条

[1] QUANTUM WAVEPACKET DYNAMICS FOR THE (1)SIGMA(+) STATES OF BORON HYDRIDE
BROECKHOVE, J
FEYEN, B
VANLEUVEN, P
CIMIRAGLIA, R
PERSICO, M
[J]. INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1993, : 517 - 526
[2] ON THE POSSIBLE CHARGE-TRANSFER DYNAMICS IN A SIMPLE SYSTEM - BH(X 1-SIGMA+) + PROTON
GIANTURCO, FA
SCHNEIDER, F
[J]. CHEMICAL PHYSICS, 1987, 111 (01) : 113 - 120
[3] THE 1-SIGMA+ EXCITED STATES OF CARBON MONOXIDE
LEFEBVREBRION, H
MOSER, CM
NESBET, RK
[J]. JOURNAL OF CHEMICAL PHYSICS, 1960, 33 (03): : 931 - 932
[4] THE B(1-SIGMA+) AND X(1-SIGMA+) STATES OF HF AND DF - RKR CURVES AND FRANCK-CONDON FACTORS
ALVARINO, JM
GONZALEZ, LF
HERNANDEZ, ML
MARTINEZ, E
[J]. SPECTROSCOPY LETTERS, 1983, 16 (07) : 541 - 553
[5] Wavepacket quantum dynamics
Balint-Kurti, Gabriel G.
[J]. THEORETICAL CHEMISTRY ACCOUNTS, 2010, 127 (1-2) : 1 - 17
[6] Wavepacket quantum dynamics
Gabriel G. Balint-Kurti
[J]. Theoretical Chemistry Accounts, 2010, 127 : 1 - 17
[7] BOUND VIBRATIONAL LEVELS OF THE 2 LOWEST 1-SIGMA+ STATES OF LIF
ASARO, C
DALGARNO, A
[J]. CHEMICAL PHYSICS LETTERS, 1985, 118 (01) : 64 - 66
[8] ANALYSIS OF THE LONG-RANGE POTENTIALS OF THE X 1-SIGMA+ AND A 3-SIGMA+ STATES OF NAK
ROSS, AJ
JEUNG, GH
[J]. CHEMICAL PHYSICS LETTERS, 1986, 132 (01) : 44 - 49
[9] THE A(2)1-SIGMA+ STATE OF NAK
ROSS, AJ
CLEMENTS, RM
BARROW, RF
[J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1988, 127 (02) : 546 - 548
[10] DIPOLE MOMENT FUNCTION OF CO 1-SIGMA+
SALWEN, H
TRISCHKA, J
[J]. JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (02): : 541 - 543

← 1 2 3 4 5 →