Density matrix renormalization group (DMRG)-based approaches in computational chemistry / Haibo Ma, Ulrich Schollwöck, and Zhigang Shuai.

Format:

Book

Author/Creator:

Ma, Haibo, author.

Schollwöck, U. (Ulrich), author.

Shuai, Zhigang, author.

Language:

English

Subjects (All):

Density matrices.

Computational chemistry.

Computational Chemistry--methods.

Medical Subjects:

Computational Chemistry--methods.

Physical Description:

1 online resource (337 pages)

Place of Publication:

Amsterdam, Netherlands ; Oxford, England ; Cambridge, Massachusetts : Elsevier, [2022]

Summary:

Density Matrix Renormalization Group (DMRG)-based Approaches in Computational Chemistry outlines important theories and algorithms of DMRG-based approaches and explores their use in computational chemistry. Beginning with an introduction to DMRG and DMRG-based approaches, the book goes on to discuss the key theories and applications of DMRG, from DMRG for semi-empirical and ab-initio quantum chemistry, to DMRG in embedded environments, frequency spaces and quantum dynamics. Drawing on the experience of its expert authors, sections detail recent ideas and key developments, providing an up-to-date view of current developments in the field for students and researchers in quantum chemistry.

Notes:

Includes index.

Description based on print version record.

Other Format:

Print version: Ma, Haibo Density Matrix Renormalization Group (DMRG)-Based Approaches in Computational Chemistry

ISBN:

9780323856959

0323856950