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Hyperfine Coupling Constants from Internally Contracted Multireference Perturbation Theory
Toru Shiozaki
*
, Takeshi Yanai
*
Corresponding author for this work
Chemistry
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peer-review
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Chemistry
Coupled Cluster
25%
Density Matrix
75%
Electron Correlation
25%
Electron Spin
75%
ESR-hyperfine Coupling Constant
100%
First Order
50%
Group
25%
k·p perturbation theory
50%
Orbital
25%
Procedure
50%
Relaxation
50%
Second Order
50%
INIS
accuracy
25%
contraction
25%
coupling constants
100%
density matrix
75%
efficiency
25%
electron correlation
25%
perturbation theory
50%
relaxation
50%
renormalization
25%
space
25%
spin
75%
two-body problem
25%
values
25%
vectors
25%