Publication | Closed Access
A correlation-energy density functional for multideterminantal wavefunctions
158
Citations
16
References
1997
Year
Quantum DynamicEngineeringMany-body Quantum PhysicComputational ChemistryChemistryElectronic StructureDynamical CorrelationCorrelation-energy Density FunctionalH2 Potential CurveQuantum Mechanical PropertyQuantum SciencePhysicsAtomic PhysicsPhysical ChemistryDensity FunctionalQuantum ChemistryNatural SciencesApplied PhysicsIon StructureMany-body Problem
Abstract A density functional for dynamical correlation, to be used in connection with wavefunctions of the complete-active-space self-consistent field type, is described, and first applications to the series of two- and four-electron atomic ions as well as to the H2 potential curve are given.
| Year | Citations | |
|---|---|---|
Page 1
Page 1