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Multiconfigurational Self-Consistent Field Theory with Density Matrix Embedding: The Localized Active Space Self-Consistent Field Method
Matthew R. Hermes,
Laura Gagliardi
Chemistry (Twin Cities)
Research output
:
Contribution to journal
›
Article
›
peer-review
45
Scopus citations
Overview
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Dive into the research topics of 'Multiconfigurational Self-Consistent Field Theory with Density Matrix Embedding: The Localized Active Space Self-Consistent Field Method'. Together they form a unique fingerprint.
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Chemical Compounds
Field Theory
99%
Density Matrix
99%
Hartree-Fock Calculation
88%
Wave Function
72%
CASSCF Calculation
27%
Diazene
14%
Hamiltonian
11%
Wave
9%
Double Bond
8%
Error
7%
Dissociation
7%
Nitrogen
6%
Physics & Astronomy
embedding
73%
self consistent fields
72%
wave functions
39%
baths
19%
fragments
12%
molecules
11%
costs
10%
scaling
10%
error functions
9%
potential energy
6%
dissociation
5%
nitrogen
5%
optimization
4%
curves
3%
Engineering & Materials Science
Wave functions
100%
Molecules
30%
Hamiltonians
12%
Potential energy
11%
Nitrogen
9%
Costs
7%
Medicine & Life Sciences
Baths
44%
diazene
29%
Costs and Cost Analysis
18%
Nitrogen
14%
Therapeutics
2%