(A) variational quantum monte carlo method in many-body systems : an application to the Si atom = 다체계의 변분적 양자 몬테칼로 방법 : 실리콘 원자에의 응용an application to the Si atom

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We develop a variational quantum Monte Carlo method in many-body systemss employing nonlocal pseudopotentials. An application is made for the Si atom. One-body Jastrow term is introduced to adjust the one-body charge density calculated from the local density functional approximation(LDA). Minimizing the total energy with only the two-body term, we find that the Jastrow factor lowers the energy by 1.51 eV compared to the LDA value. However, this calculated energy is higher by 0.53 eV than the configuration interaction result of -103.60 eV.
Advisors
Chang, Kee-Jooresearcher장기주researcher
Description
한국과학기술원 : 물리학과,
Publisher
한국과학기술원
Issue Date
1995
Identifier
98676/325007 / 000933465
Language
eng
Description

학위논문(석사) - 한국과학기술원 : 물리학과, 1995, [ [ii], 23 p. ]

URI
http://hdl.handle.net/10203/48372
Link
http://library.kaist.ac.kr/search/detail/view.do?bibCtrlNo=98676&flag=dissertation
Appears in Collection
PH-Theses_Master(석사논문)
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