Current time in Korea 05:02 Oct 26 (Mon) Year 2020 KCS KCS Publications
KCS Publications
My Journal  Log In  Register
HOME > Search > Browsing(JKCS) > Archives

Journal of the Korean Chemical Society (JKCS)

ISSN 1017-2548(Print)
ISSN 2234-8530(Online)
Volume 22, Number 4
JKCSEZ 22(4)
August 20, 1978 

Two Method for Evaluation of the Dipole Moment Matrix Elements

쌍극자모멘트 행렬요소를 계산하는 두가지 방법
Sangwoon Ahn

Spherical harmonic의 전개방법과 쌍극자모멘트의 행렬요소를 Mulliken의 overlap integral로 전환시키는 방법을 사용하여 쌍극자모멘트의 행렬요소를 계산하는 두가지 방법을 발전시켰다. 이 두 방법에 의하여 계산한 쌍극자모멘트행렬요소의 값은 서로 일치하였다.

Two methods for evaluation of the dipole moment matrix elements are developed, one using the expansion method for spherical harmonics and the other the transformation method of the dipole moment matrix elements into overlap integrals for Mulliken. The numerical values of the dipole moment matrix elements evaluated by two methods are in agreement with each other.

229 - 238
Full Text