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Perturbation Theories Based on the Density Matrix Renormalization Group

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자료유형E-Book
개인저자Guo, Sheng.
단체저자명Princeton University. Chemistry.
서명/저자사항Perturbation Theories Based on the Density Matrix Renormalization Group.
발행사항[S.l.] : Princeton University., 2018
발행사항Ann Arbor : ProQuest Dissertations & Theses, 2018
형태사항100 p.
소장본 주기School code: 0181.
ISBN9780438048799
일반주기 Source: Dissertation Abstracts International, Volume: 79-10(E), Section: B.
Adviser: Garnet K. Chan.
요약This thesis describes the development of perturbation theories based on the density matrix renormalization group (DMRG) and their applications to strongly correlated electronic systems. We introduce two types of perturbation theories based on DM
요약The first one uses the framework of multi-reference perturbation theory. We present a combination of the DMRG and the strongly-contracted variant of second order N-electron valence state perturbation theory (SC-NEVPT2) that uses an efficient alg
요약The second one, perturbative DMRG (p-DMRG), is designed for systems with very large active spaces. In p-DMRG, a zeroth-order wavefunction with a small number of variational parameters is first obtained by a standard DMRG calculation. Then, the r
요약We also present an efficient stochastic algorithm for p-DMRG, which bypasses the difficulty in solving the first-order equation in the deterministic algorithm. The key part of the algorithm is to represent the right hand side of the first-order
일반주제명Physical chemistry.
Chemistry.
언어영어
기본자료 저록Dissertation Abstracts International79-10B(E).
Dissertation Abstract International
대출바로가기http://www.riss.kr/pdu/ddodLink.do?id=T14998518

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