Molecular treatment of charge transfer in C2+ + He collisions: I. Ab initio evaluation of electronic energies and dynamical couplings

被引：0

作者：

机构：

[1] Castillo, J.F.

[2] Cooper, I.L.

[3] Errea, L.F.

[4] Mendez, L.

[5] Riera, A.

来源：

Castillo, J.F. | 1600年 / Institute of Physics Publishing Ltd, Bristol, United Kingdom卷 / 27期

关键词：

Charge transfer - Dynamic couplings - Electron configuration interaction - Electron energy - Molecular wavefunctions;

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摘要：

引用

共 30 条

[21] Charge transfer between C2+ and H2, N2, He, and CO at electron-volt energies -: art. no. 052704
Gao, H
Kwong, VHS
PHYSICAL REVIEW A, 2003, 68 (05):
[22] THEORETICAL-STUDY OF SINGLE AND DOUBLE-CHARGE-TRANSFER IN HE2+-HE COLLISIONS AT KILO-ELECTRON-VOLT ENERGIES IN A DIABATIC MOLECULAR REPRESENTATION
CHAUDHURI, C
SANYAL, S
DASTIDAR, TKR
PHYSICAL REVIEW A, 1995, 52 (02): : 1137 - 1142
[23] Ab initio study of one- and two-electron transfer processes in collisions of Ne2+ with He at low to intermediate energies -: art. no. 012716
Imai, TW
Kimura, M
Gu, JP
Hirsch, G
Buenker, RJ
Wang, JG
Stancil, PC
Pichl, L
PHYSICAL REVIEW A, 2003, 68 (01):
[24] MOLECULAR-STATE TREATMENT OF EXCITATION AND CHARGE-TRANSFER PROCESSES IN H+ +HE(1S2) COLLISIONS
KIMURA, M
PHYSICAL REVIEW A, 1985, 31 (04): : 2158 - 2161
[25] Theoretical studies of unimolecular reactions of C2-C5 alkoxy radicals.: Part I.: Ab initio molecular orbital calculations
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Zellner, R
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2000, 2 (09) : 1899 - 1905
[26] Hydrogen transfer in photoexcited phenol/ammonia clusters by UV-IR-UV ion dip spectroscopy and ab initio molecular orbital calculations.: I.: Electronic transitions
Ishiuchi, S
Daigoku, K
Saeki, M
Sakai, M
Hashimoto, K
Fujii, M
JOURNAL OF CHEMICAL PHYSICS, 2002, 117 (15): : 7077 - 7082
[27] Ab initio molecular orbital and density functional study of the C6H6•I2 complex in the ground and excited electronic states
Mebel, AM
Lin, HL
Lin, SH
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1999, 72 (04) : 307 - 318
[28] Charge transfer to solvent (CTTS) energies of small X-(H2O)n=1-4 (X=F, Cl, Br, I) clusters:: Ab initio study
Majumdar, D
Kim, J
Kim, KS
JOURNAL OF CHEMICAL PHYSICS, 2000, 112 (01): : 101 - 105
[29] Charge-transfer-to-solvent-driven dissolution dynamics of I-(H2O)2-5 upon excitation:: Excited-state ab initio molecular dynamics Simulations
Kolaski, Maciej
Lee, Han Myoung
Pak, Chaeho
Kim, Kwang S.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2008, 130 (01) : 103 - 112
[30] An ab initio molecular orbital study of the argon hydride molecule-ions, ArH+ and ArD+, at the MP4(SDQ)/6-311++G(3df, 3dp) level.: I.: The dipole moment, charge distribution, energy levels, internuclear distance and potential energy of the X1Σ+ ground state of the 40Ar1H+ and 40Ar2D+ molecule-ions
Schutte, CJH
CHEMICAL PHYSICS LETTERS, 2001, 345 (5-6) : 525 - 531

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