Density matrix renormalization group for ab initio calculations and associated dynamic correlation methods

A review of theory and applications

Takeshi Yanai, Yuki Kurashige, Wataru Mizukami, Jakub Chalupský, Tran Nguyen Lan, Masaaki Saitow

    Research output: Contribution to journalReview article

    75 Citations (Scopus)

    Abstract

    The recent advent of the density matrix renormalization group (DMRG) theory has delivered a new capability to compute multireference (MR) wave function with large configuration space, which far exceeds the limitation of conventional approaches. Here, we provide an overview of our recent work on the developments of ab initio DMRG methods in the context of the active space approaches and their applications to MR chemical systems.

    Original languageEnglish
    Pages (from-to)283-299
    Number of pages17
    JournalInternational Journal of Quantum Chemistry
    Volume115
    Issue number5
    DOIs
    Publication statusPublished - Feb 1 2015

    Fingerprint

    Correlation methods
    Group theory
    group theory
    renormalization group methods
    Wave functions
    wave functions
    configurations

    All Science Journal Classification (ASJC) codes

    • Atomic and Molecular Physics, and Optics
    • Condensed Matter Physics
    • Physical and Theoretical Chemistry

    Cite this

    Density matrix renormalization group for ab initio calculations and associated dynamic correlation methods : A review of theory and applications. / Yanai, Takeshi; Kurashige, Yuki; Mizukami, Wataru; Chalupský, Jakub; Lan, Tran Nguyen; Saitow, Masaaki.

    In: International Journal of Quantum Chemistry, Vol. 115, No. 5, 01.02.2015, p. 283-299.

    Research output: Contribution to journalReview article

    Yanai, Takeshi ; Kurashige, Yuki ; Mizukami, Wataru ; Chalupský, Jakub ; Lan, Tran Nguyen ; Saitow, Masaaki. / Density matrix renormalization group for ab initio calculations and associated dynamic correlation methods : A review of theory and applications. In: International Journal of Quantum Chemistry. 2015 ; Vol. 115, No. 5. pp. 283-299.
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