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008181129s2018 ||| | | | eng d
020 ▼a 9780438048799
035 ▼a (MiAaPQ)AAI10822884
035 ▼a (MiAaPQ)princeton:12573
040 ▼a MiAaPQ ▼c MiAaPQ ▼d 248032
0491 ▼f DP
0820 ▼a 541
1001 ▼a Guo, Sheng.
24510 ▼a Perturbation Theories Based on the Density Matrix Renormalization Group.
260 ▼a [S.l.] : ▼b Princeton University., ▼c 2018
260 1 ▼a Ann Arbor : ▼b ProQuest Dissertations & Theses, ▼c 2018
300 ▼a 100 p.
500 ▼a Source: Dissertation Abstracts International, Volume: 79-10(E), Section: B.
500 ▼a Adviser: Garnet K. Chan.
5021 ▼a Thesis (Ph.D.)--Princeton University, 2018.
520 ▼a This 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
520 ▼a The 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
520 ▼a The 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
520 ▼a We 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
590 ▼a School code: 0181.
650 4 ▼a Physical chemistry.
650 4 ▼a Chemistry.
690 ▼a 0494
690 ▼a 0485
71020 ▼a Princeton University. ▼b Chemistry.
7730 ▼t Dissertation Abstracts International ▼g 79-10B(E).
773 ▼t Dissertation Abstract International
790 ▼a 0181
791 ▼a Ph.D.
792 ▼a 2018
793 ▼a English
85640 ▼u http://www.riss.kr/pdu/ddodLink.do?id=T14998518 ▼n KERIS
980 ▼a 201812 ▼f 2019
990 ▼a 관리자 ▼b 관리자