- Integral Hellmann-Feynman Theorem에 의한 Polarizability의 평가
- ㆍ 저자명
- 김호징,조웅인,Kim. Ho-Jing,Cho. Ung-In
- ㆍ 간행물명
- 대한화학회지
- ㆍ 권/호정보
- 1970년|14권 1호|pp.127-131 (5 pages)
- ㆍ 발행정보
- 대한화학회
- ㆍ 파일정보
- 정기간행물| PDF텍스트
- ㆍ 주제분야
- 기타
The variational approach for the direct evaluation of the energy difference ${Delta}$E is studied. The method is based on the differential equation corresponding to the integral Hellmann-Feynman formula. The ${Delta}$E is given by the expectation value of the Hermitian operator which does not involve the 1/$r_{ij}$ term. Because of its variational nature of the method, the coupling problem of the differential equations which are encountered in perturbation treatment does not occur. The method is applied to the evaluation of the electric polarizabilities of the Helium isoelectronic series atoms. The result is in good agreement with the experiment. The method is compared with the recent works of Karplus et al