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학술발표회초록보기

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제112회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Study of photoionization of N2 molecules by various methods

등록일
2013년 8월 11일 11시 46분 41초
접수번호
0033
발표코드
PHYS.P-261 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
10월 16일 (수요일) 16:00~19:00
발표형식
포스터
발표분야
물리화학
저자 및
공동저자
이천우
아주대학교 화학과, Korea
We report the progress on the study of photoionization of N2 molecules by an one-center expansion method. We have tried two methods to study the photoionization of N2. One is the one-center expansion method and the other is the R-matrix method using the UK molecular code. One-center expansion method by Faisal, Sinfailam and Burke is adopted to our work. Their codes seem to contain parts specific to their site. We spent a lot of time to get rid of such parts specific to their computer system and to make a workable code in our system. Since electron and target states in their calculation are treated separately, their method suffers from the orthogonalization problem between scattering states and tartget states. Thus it may be better to use the method which treat the target and photo-electron together. For this purpose, we tried to adopt the UK molecular R-matrix method. We report the progress.

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