Suggested Topics within your search.
Suggested Topics within your search.
Ab initio electronic structure methods
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Calculations
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Complete basis set limit
Configuration-interaction calculations
1
Electronic structure
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Electronic structure theory
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Excitation energy
1
Excited states
1
Incremental Strategy
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Medium-sized molecules
1
Molecules
1
Numerical methods
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Vertical excitation energy
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Wave function method
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Wave functions
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benchmark
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coupled cluster theory
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database
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excitation energies
1
excited states
1
full configuration interaction
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