Kinder, Jesse M. and Ralph, Claire C. and Chan, Garnet Kin-Lic
(2014)
*Analytic Time Evolution, Random Phase Approximation, and Green Functions for Matrix Product States.*
In:
Quantum Information and Computation for Chemistry.
Advances in Chemical Physics.
Vol.154.
No.154.
John Wiley & Sons, Inc.
, Hoboken, NJ, pp. 179-192.
ISBN 9781118495667.
http://resolver.caltech.edu/CaltechAUTHORS:20170106-121654839

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## Abstract

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.

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Additional Information: | © 2014 John Wiley & Sons, Inc. This work was supported by the Cornell Center for Materials Research, the Center for Molecular Interfacing, NSF CAREER, the Camille and Henry Dreyfus Foundation, the David and Lucile Packard Foundation, and the Alfred P. Sloan Foundation. Claire C. Ralph would like to acknowledge the DOE CSGF program for support. | ||||||||||||||||

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Subject Keywords: | Green function approach; Hartree–Fock (HF) theory; matrix product states (MPS) approach; random phase approximation (RPA); time evolution | ||||||||||||||||

Record Number: | CaltechAUTHORS:20170106-121654839 | ||||||||||||||||

Persistent URL: | http://resolver.caltech.edu/CaltechAUTHORS:20170106-121654839 | ||||||||||||||||

Official Citation: | Kinder, J. M., Ralph, C. C. and Kin-Lic Chan, G. (2014) Analytic Time Evolution, Random Phase Approximation, and Green Functions for Matrix Product States, in Quantum Information and Computation for Chemistry: Advances in Chemical Physics Volume 154 (ed S. Kais), John Wiley & Sons, Inc., Hoboken, New Jersey. doi: 10.1002/9781118742631.ch07 | ||||||||||||||||

Usage Policy: | No commercial reproduction, distribution, display or performance rights in this work are provided. | ||||||||||||||||

ID Code: | 73299 | ||||||||||||||||

Collection: | CaltechAUTHORS | ||||||||||||||||

Deposited By: | Donna Wrublewski | ||||||||||||||||

Deposited On: | 06 Jan 2017 20:42 | ||||||||||||||||

Last Modified: | 15 Sep 2017 20:31 |

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