Zhigang Shuai – författare & böcker

Density Matrix Renormalization Group (DMRG)-based Approaches in Computational Chemistry

Häftad, Engelska, 2022

2 051 kr

Skickas inom 10-15 vardagar

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. Provides an expertly-curated, consolidated overview of research in the field Includes exercises that support learning and link theory to practice Outlines key theories and algorithms for computational chemistry applications

Density Matrix Renormalization Group (DMRG)-based Approaches in Computational Chemistry

AvZhigang Shuai,Ulrich Schollwockm. fl.

E-bok

Engelska, 2022

2 920 kr

Läs direkt efter köp

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.- Provides an expertly-curated, consolidated overview of research in the field- Includes exercises that support learning and link theory to practice- Outlines key theories and algorithms for computational chemistry applications

Theory of Charge Transport in Carbon Electronic Materials

AvZhigang Shuai,Linjun Wangm. fl.

Häftad, Engelska, 2012

549 kr

Skickas inom 10-15 vardagar

Mechanism of charge transport in organic solids has been an issue of intensive interests and debates for over 50 years, not only because of the applications in printing electronics, but also because of the great challenges in understanding the electronic processes in complex systems. With the fast developments of both electronic structure theory and the computational technology, the dream of predicting the charge mobility is now gradually becoming a reality. This volume describes recent progresses in Prof. Shuai’s group in developing computational tools to assess the intrinsic carrier mobility for organic and carbon materials at the first-principles level. According to the electron-phonon coupling strength, the charge transport mechanism is classified into three different categories, namely, the localized hopping model, the extended band model, and the polaron model. For each of them, a corresponding theoretical approach is developed and implemented into typical examples.

Theory of Charge Transport in Carbon Electronic Materials

AvChenchen Song,Linjun Wangm. fl.

E-bok

PDF, Engelska, 2012

687 kr

Läs direkt efter köp

Mechanism of charge transport in organic solids has been an issue of intensive interests and debates for over 50 years, not only because of the applications in printing electronics, but also because of the great challenges in understanding the electronic processes in complex systems. With the fast developments of both electronic structure theory and the computational technology, the dream of predicting the charge mobility is now gradually becoming a reality.

This volume describes recent progresses in Prof. Shuai’s group in developing computational tools to assess the intrinsic carrier mobility for organic and carbon materials at the first-principles level. According to the electron-phonon coupling strength, the charge transport mechanism is classified into three different categories, namely, the localized hopping model, the extended band model, and the polaron model. For each of them, a corresponding theoretical approach is developed and implemented into typical examples.

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Zhigang Shuai – författare

Density Matrix Renormalization Group (DMRG)-based Approaches in Computational Chemistry

Density Matrix Renormalization Group (DMRG)-based Approaches in Computational Chemistry

Theory of Charge Transport in Carbon Electronic Materials

Theory of Charge Transport in Carbon Electronic Materials

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