Density Matrix Renormalization Group (DMRG)-based Approaches in Computational Chemistry 1st Edition – Ebook Instant Download/Delivery ISBN(s): 9780323856942,0323856942,9780323856959, 0323856950

Product details:

• ISBN-10: 0323856950
• ISBN-13: 9780323856959
• Author: Haibo Ma, Ulrich Schollwöck, Zhigang Shuai

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.

Table contents:

Chapter 1. Density matrix renormalization group

Chapter 2. Tensor network states: matrix product states and relatives

Chapter 3. Density matrix renormalization group for semiempirical quantum chemistry

Chapter 4. Density matrix renormalization group for ab initio quantum chemistry Hamiltonian

Chapter 5. Density matrix renormalization group with orbital optimization

Chapter 6. Post-density matrix renormalization group

Chapter 7. DMRG in frequency space

Chapter 8. Time-dependent density matrix renormalization group

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