2024-03-28T11:54:40Z
https://teapot.lib.ocha.ac.jp/oai
oai:teapot.lib.ocha.ac.jp:00034691
2022-12-12T05:39:10Z
347:359:669
Calculation of non-adiabatic coupling matrix elements in the molecular orbital expansion method
Watanabe, Ayako
Suzuki, Reiko
Sato, Hiroshi
Kimura, Mineo
400
application/pdf
紀要論文
Calculation of adiabatic potentials and corresponding non-adiabatic coupling matrix elements has been carried out rigorously for HLi^+ system by using the ALCHEMY. The adiabatic potentials and some of the coupling matrix elements are compared with those previously obtained, and are found to be in good agreement. For some states, however, the present results are found to be more in the high precision. We have carried out the preliminary study of collision dynamics by solving the coupled equation derived, and some tentative results are included.
お茶の水女子大学
1998-12-30
eng
departmental bulletin paper
http://hdl.handle.net/10083/857
https://teapot.lib.ocha.ac.jp/records/34691
AN00033958
00298190
お茶の水女子大學自然科學報告
49
2
33
50
https://teapot.lib.ocha.ac.jp/record/34691/files/KJ00004470896.pdf
application/pdf
868.5 kB
2018-04-19