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Testing one-body density functionals on a solvable model
(2012-10)
There are several physically motivated density matrix functionals in the literature, built from the knowledge of the natural orbitals and the occupation numbers of the one-body reduced density matrix. With the help of the ...
The lowest excited configuration of harmonium
(2012)
The harmonium model has long been regarded as an exactly solvable laboratory bench for quantum chemistry [W. Heisenberg, Z. Phys. 38, 411 (1926)]. For studying correlation energy, only the ground state of the system has ...