scholarly journals A comprehensive, self‐contained derivation of the one‐body density matrices from single‐reference excited‐state calculation methods using the equation‐of‐motion formalism

2020 ◽  
Vol 120 (5) ◽  
Author(s):  
Thibaud Etienne
Keyword(s):  
Excited State ◽  
Equation Of Motion ◽  
Body Density ◽  
Calculation Methods ◽  
Density Matrices ◽  
State Calculation ◽  
The One ◽  
Excited State Calculation

scholarly journals Insights into one-body density matrices using deep learning

2020 ◽  
Vol 224 ◽  
pp. 265-291 ◽  
Author(s):  
Jack Wetherell ◽  
Andrea Costamagna ◽  
Matteo Gatti ◽  
Lucia Reining
Keyword(s):  
Deep Learning ◽  
Density Matrix ◽  
Reduced Density Matrix ◽  
Body Density ◽  
Density Matrices ◽  
Learning Constraints ◽  
The One ◽  
Reduced Density

Deep-learning constraints of the one-body reduced density matrix from its compressibility to enable efficient determination of key observables.

scholarly journals Efficient pole-search algorithm for dynamic polarizability: Toward alternative excited-state calculation for large systems

2016 ◽  
Vol 38 (1) ◽  
pp. 7-14 ◽  
Author(s):  
Hiromi Nakai ◽  
Takeshi Yoshikawa ◽  
Yutaro Nonaka
Keyword(s):  
Excited State ◽  
Search Algorithm ◽  
Dynamic Polarizability ◽  
State Calculation ◽  
Large Systems ◽  
Excited State Calculation

A closed irreversible equation of motion for the one-body density

1983 ◽  
Vol 129 (3-4) ◽  
pp. 172-176 ◽  
Author(s):  
P. Buck ◽  
H. Feldmeier
Keyword(s):  
Equation Of Motion ◽  
Body Density ◽  
The One

scholarly journals Low-Scaling Excited State Calculation Using the Block Interaction Product State

2022 ◽  
pp. 462-470
Author(s):  
Ke Wang ◽  
Zhaoxuan Xie ◽  
Zhen Luo ◽  
Haibo Ma
Keyword(s):  
Excited State ◽  
Product State ◽  
Block Interaction ◽  
Interaction Product ◽  
State Calculation ◽  
Excited State Calculation

Application of the Sakurai-Sugiura projection method to core-excited-state calculation by time-dependent density functional theory

2008 ◽  
Vol 29 (14) ◽  
pp. 2311-2316 ◽  
Author(s):  
Takashi Tsuchimochi ◽  
Masato Kobayashi ◽  
Ayako Nakata ◽  
Yutaka Imamura ◽  
Hiromi Nakai
Keyword(s):  
Density Functional Theory ◽  
Excited State ◽  
Projection Method ◽  
Density Functional ◽  
Time Dependent ◽  
Functional Theory ◽  
State Calculation ◽  
Excited State Calculation ◽  
Dependent Density

scholarly journals The one-body and two-body density matrices of finite nuclei with an appropriate treatment of the center-of-mass motion⋆

2006 ◽  
Vol 27 (2) ◽  
pp. 143-155 ◽  
Author(s):  
A. Shebeko ◽  
P. Papakonstantinou ◽  
E. Mavrommatis
Keyword(s):  
Center Of Mass ◽  
Mass Motion ◽  
Body Density ◽  
Density Matrices ◽  
Appropriate Treatment ◽  
The One ◽  
Finite Nuclei
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