scholarly journals Linear Response for a Family of Self-consistent Transfer Operators

2021 ◽  
Vol 382 (3) ◽  
pp. 1601-1624 ◽  
Author(s):  
Fanni M. Sélley ◽  
Matteo Tanzi
Keyword(s):  
Linear Response ◽  
Transfer Operators ◽  
Self Consistent

A First Principles Approach for Partitioning Linear Response Properties into Additive and Cooperative Contributions

2018 ◽  
Author(s):  
Daniel Lambrecht ◽  
Eric Berquist
Keyword(s):  
First Principles ◽  
Linear Response ◽  
Building Blocks ◽  
Field Method ◽  
Response Property ◽  
Response Properties ◽  
Consistent Field ◽  
Molecular Building Blocks ◽  
Self Consistent ◽  
Self Consistent Field

We present a first principles approach for decomposing molecular linear response properties into orthogonal (additive) plus non-orthogonal/cooperative contributions. This approach enables one to 1) identify the contributions of molecular building blocks like functional groups or monomer units to a given response property and 2) quantify cooperativity between these contributions. In analogy to the self consistent field method for molecular interactions, SCF(MI), we term our approach LR(MI). The theory, implementation and pilot data are described in detail in the manuscript and supporting information.

Self-consistent nonlocal linear-response theory of a relativistic electron gas

2003 ◽  
Vol 67 (11) ◽  
Author(s):  
F. E. Leys ◽  
N. H. March ◽  
G. G. N. Angilella ◽  
D. Lamoen
Keyword(s):  
Relativistic Electron ◽  
Linear Response ◽  
Electron Gas ◽  
Linear Response Theory ◽  
Response Theory ◽  
Self Consistent
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