Book Section records
https://feeds.library.caltech.edu/people/Chan-Garnet-K-L/book_section.rss
A Caltech Library Repository Feedhttp://www.rssboard.org/rss-specificationpython-feedgenenTue, 16 Apr 2024 13:26:34 +0000Canonical Transformation Theory for Dynamic Correlations in Multireference Problems
https://resolver.caltech.edu/CaltechAUTHORS:20170106-165433456
Authors: {'items': [{'id': 'Chan-Garnet-K-L', 'name': {'family': 'Chan', 'given': 'Garnet Kin-Lic'}, 'orcid': '0000-0001-8009-6038'}, {'id': 'Yanai-Takeshi', 'name': {'family': 'Yanai', 'given': 'Takeshi'}}]}
Year: 2007
DOI: 10.1002/9780470106600.ch13
[No abstract]https://authors.library.caltech.edu/records/k4f9z-vkm38An Introduction to the Density Matrix Renormalization Group Ansatz in Quantum Chemistry
https://resolver.caltech.edu/CaltechAUTHORS:20170203-115446710
Authors: {'items': [{'id': 'Chan-Garnet-K-L', 'name': {'family': 'Chan', 'given': 'Garnet Kin-Lic'}, 'orcid': '0000-0001-8009-6038'}, {'id': 'Dorando-Jonathan-J', 'name': {'family': 'Dorando', 'given': 'Jonathan J.'}}, {'id': 'Ghosh-Debashree', 'name': {'family': 'Ghosh', 'given': 'Debashree'}, 'orcid': '0000-0003-0726-7878'}, {'id': 'Hachmann-Johannes', 'name': {'family': 'Hachmann', 'given': 'Johannes'}, 'orcid': '0000-0003-4501-4118'}, {'id': 'Neuscamman-Eric', 'name': {'family': 'Neuscamman', 'given': 'Eric'}, 'orcid': '0000-0002-4760-8238'}, {'id': 'Wang-Haitao', 'name': {'family': 'Wang', 'given': 'Haitao'}}, {'id': 'Yanai-Takeshi', 'name': {'family': 'Yanai', 'given': 'Takeshi'}}]}
Year: 2008
DOI: 10.1007/978-1-4020-8707-3_4
The Density Matrix Renormalisation Group (DMRG) is an electronic structure method that has recently been applied to ab-initio quantum chemistry. Even at this early stage, it has enabled the solution of many problems that would previously have been intractable with any other method, in particular, multireference problems with very large active spaces. Historically, the DMRG was not originally formulated from a wavefunction perspective, but rather in a Renormalisation Group (RG) language. However, it is now realised that a wavefunction view of the DMRG provides a more convenient, and in some cases more powerful, paradigm. Here we provide an expository introduction to the DMRG ansatz in the context of quantum chemistry.https://authors.library.caltech.edu/records/2b431-f3164The Density Matrix Renormalization Group in Quantum Chemistry
https://resolver.caltech.edu/CaltechAUTHORS:20170120-125547973
Authors: {'items': [{'id': 'Chan-Garnet-K-L', 'name': {'family': 'Chan', 'given': 'Garnet Kin-Lic'}, 'orcid': '0000-0001-8009-6038'}, {'id': 'Zgid-Dominika', 'name': {'family': 'Zgid', 'given': 'Dominika'}, 'orcid': '0000-0003-4363-8285'}]}
Year: 2009
DOI: 10.1016/S1574-1400(09)00507-6
The density matrix renormalization group (DMRG) is an electronic structure method that has recently been applied to ab initio quantum chemistry. Even at this early stage, it has enabled the solution of many problems that would previously have been intractable with any other method, in particular, multireference problems with very large active spaces. Here we provide an expository introduction to the theory behind the DMRG and give a brief overview of some recent applications and developments in the context of quantum chemistry.https://authors.library.caltech.edu/records/455ss-wg898Solving Problems with Strong Correlation Using the Density Matrix Renormalization Group (DMRG)
https://resolver.caltech.edu/CaltechAUTHORS:20170203-134344891
Authors: {'items': [{'id': 'Chan-Garnet-K-L', 'name': {'family': 'Chan', 'given': 'Garnet Kin-Lic'}, 'orcid': '0000-0001-8009-6038'}, {'id': 'Sharma-Sandeep', 'name': {'family': 'Sharma', 'given': 'Sandeep'}, 'orcid': '0000-0002-6598-8887'}]}
Year: 2011
DOI: 10.1142/9781848167254_0003
This chapter is concerned with the problem of strongly correlated electrons in quantum chemistry. We describe how a technique known as the density matrix renormalization group (DMRG) can tackle complicated chemical problems of strong correlation by capturing the local nature of the correlations. We analyse the matrix product state structure of the DMRG wavefunction that encodes one-dimensional aspects of locality. We also discuss the connection to the traditional ideas of the renormalization group. We finish with a survey of applications of the DMRG, its strengths and weaknesses in chemical applications, and its recent promising generalization to tensor network states.https://authors.library.caltech.edu/records/y4b3s-adr84Analytic Time Evolution, Random Phase Approximation, and Green Functions for Matrix Product States
https://resolver.caltech.edu/CaltechAUTHORS:20170106-121654839
Authors: {'items': [{'id': 'Kinder-J-M', 'name': {'family': 'Kinder', 'given': 'Jesse M.'}}, {'id': 'Ralph-C-C', 'name': {'family': 'Ralph', 'given': 'Claire C.'}}, {'id': 'Chan-Garnet-K-L', 'name': {'family': 'Chan', 'given': 'Garnet Kin-Lic'}, 'orcid': '0000-0001-8009-6038'}]}
Year: 2014
DOI: 10.1002/9781118742631.ch07
This chapter summarizes the Hartree–Fock (HF) and Matrix product states (MPS) approaches to stationary states to establish notation and illustrate the parallel structure of the theories. It derives analytic equations of motion for MPS time evolution using the Dirac–Frenkel variational principle. The chapter shows that the resulting evolution is optimal for MPS of fixed auxiliary dimension. It discusses the relationship of this approach to time evolution to schemes currently in use. The chapter explains how excitation energies and dynamical properties can be obtained from a linear eigenvalue problem. The relationship of this MPS random phase approximation (RPA) to other dynamical approaches for matrix product states is discussed. Finally, the chapter explores the site-based Green functions that emerge naturally within the theory of MPS and use the fluctuation-dissipation theory to analyze the stationary-state correlations introduced at the level of the MPS RPA.https://authors.library.caltech.edu/records/hcw9x-3h671Five years of density matrix embedding theory
https://resolver.caltech.edu/CaltechAUTHORS:20170131-144148159
Authors: {'items': [{'id': 'Wouters-S', 'name': {'family': 'Wouters', 'given': 'Sebastian'}}, {'id': 'Jiménez-Hoyos-C-A', 'name': {'family': 'Jiménez-Hoyos', 'given': 'Carlos A.'}}, {'id': 'Chan-Garnet-K-L', 'name': {'family': 'Chan', 'given': 'Garnet K.-L.'}, 'orcid': '0000-0001-8009-6038'}]}
Year: 2017
DOI: 10.1002/9781119129271.ch8
Density matrix embedding theory (DMET) describes finite fragments in the presence of a surrounding environment. This chapter discusses the ground‐state and response theory formulations of DMET, and reviews several applications. In addition, it gives a proof that the local density of states can be obtained by working with a Fock space of bath orbitals. The chapter also reviews nomenclature and several concepts from quantum information theory, which are necessary to follow the discussion on DMET. The DMET algorithm is not limited to ground‐state properties, but can be extended to calculate response properties as well. The chapter extends the ground‐state algorithm to calculate Green's functions. Ground‐state DMET has been applied to a variety of condensed matter systems. It has been used to study the one‐dimensional Hubbard model, the one‐dimensional Hubbard‐Anderson model, the one‐dimensional Hubbard‐Holstein model, the two‐dimensional Hubbard model on the square as well as the honeycomb lattice, and the two‐dimensional spin-½ J₁‐J₂‐model.https://authors.library.caltech.edu/records/002wk-my817