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Analytic Gradients for Selected Configuration Interaction
Jeremy P. Coe
Institute of Chemical Sciences
School of Engineering & Physical Sciences
Research output
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Contribution to journal
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Article
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peer-review
13
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Dive into the research topics of 'Analytic Gradients for Selected Configuration Interaction'. Together they form a unique fingerprint.
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Earth and Planetary Sciences
Configuration Interaction
100%
Gradient
100%
Symmetry
50%
Approach
50%
Geometry
25%
Ammonia
25%
Subgroup
25%
Orbitals
25%
Carbon Monoxide
25%
Quality
25%
Need
25%
Stability
25%
Fraction
25%
Representation
25%
Square
25%
Show
25%
Physics
Configuration Interaction
100%
Gradients
100%
Symmetry
50%
Carbon Monoxide
25%
Orbitals
25%
Ammonia
25%
Stability
25%
Quality
25%
Geometry
25%
Fractions
25%
Subgroups
25%
Chemistry
Methane
75%
Symmetry
50%
Ammonia
25%
Carbon Monoxide
25%
Wave Function
25%
Bond Length
25%
Procedure
25%
Orbital
25%
Molecular Orbital
25%
Biochemistry, Genetics and Molecular Biology
Length
25%
Carbon Monoxide
25%