Guided by the above motto (quotation), we review a broad range of issues lying at the
foundations of Density Functional Theory, DFT, a theory which is currently omnipresent in …

When Schrödinger1 derived the now-famous equation bearing his name in 1925, new
possibilities emerged for the theoretical and computational prediction of energies and …

Here we present a many-body theory based on a solution of the N-representability problem
in which the ground-state two-particle reduced density matrix (2-RDM) is determined directly …

Polyaromatic hydrocarbons (PAHs) are a class of organic molecules with importance in
several branches of science, including medicine, combustion chemistry, and materials …

The N-representability conditions on the reduced second-order reduced density matrix (2-
RDM), impose restrictions not only in the context of reduced density matrix theory (RDMT) …

Quantum measurements provide a trove of information about a quantum system or process
without solution of the Schrödnger equation, and in principle, the associated density matrix …

Using the active-space two-electron reduced density matrix (2-RDM) method, which scales
polynomially with the size of the active space [G. Gidofalvi and DA Mazziotti, J. Chem. Phys …

Наведено огляд широкого спектра питань, що лежать в основi теорiї функцiонала
густини, ТФГ, яка у теперiшнiй час є всюдисущою практично у всiх розрахункових …

We offer a broad range of issues lying at the heart of density functional theory, DFT, which is
currently omnipresent in nearly all computational studies of atoms, molecules, solids, and …

Abstract Properties of the non-Born–Oppenheimer two-matrix are examined for four-particle
systems of the Coulomb–Hooke and Moshinsky types. We obtain for both these models …