Haibo Ma,
Haibo (Professor of Theoretical Chemistry, School of Chemistry and Chemical Engineering, Nanjing University, China) Ma,
Ulrich Schollwöck,
Ulrich (Department of Physics, Ludwig-Maximilian University of Munich, Munchen, Germany) Schollwock,
Zhigang Shuai,
Zhigang (Department of Chemistry, Tsinghua University, Beijing, China) Shuai
e.a.
Density Matrix Renormalization Group (DMRG)-based Approaches in Computational Chemistry
Paperback Engels 2022 9780323856942Levertijd ongeveer 9 werkdagen
Gratis verzonden
Samenvatting
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.
Specificaties
Lezersrecensies
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Inhoudsopgave
1. Introduction to Density Matrix Renormalization Group (DMRG)
2. DMRG approaches
3. Tensor product state and MPS/MPO/TNS
4. DMRG for semi-empirical quantum chemistry
5. DMRG for ab-initio quantum chemistry
6. DMRG-CASSCF
7. Post-DMRG
8. Relativistic DMRG
9. DMRG embedded in environments
10. DMRG in frequency space
11. tDMRG quantum dynamics
2. DMRG approaches
3. Tensor product state and MPS/MPO/TNS
4. DMRG for semi-empirical quantum chemistry
5. DMRG for ab-initio quantum chemistry
6. DMRG-CASSCF
7. Post-DMRG
8. Relativistic DMRG
9. DMRG embedded in environments
10. DMRG in frequency space
11. tDMRG quantum dynamics
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