Quantum chemistry in phase space: Some current trends
Recent developments in the phase space formalisms within density functional theory are discussed. The phase space distribution function corresponding to a ground state electron density, obtained through an entropy maximization procedure, leads to good quality momentum density and first order reduced density matrix. Calculations of Compton profiles and exchange energies with different kinetic energy functionals show interesting results.
Volume 134, 2022
Continuous Article Publishing mode
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