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Mode-coupling theory and the glass transition in supercooled liquids
SP Das - Reviews of modern physics, 2004 - APS
Mode-coupling theory is an approach to the study of complex behavior in the supercooled
liquids which developed from the idea of a nonlinear feedback mechanism. From the …
liquids which developed from the idea of a nonlinear feedback mechanism. From the …
Density functional theory: Foundations reviewed
ES Kryachko, EV Ludena - Physics Reports, 2014 - Elsevier
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 …
foundations of Density Functional Theory, DFT, a theory which is currently omnipresent in …
Density functional theory of atoms and molecules
RG Parr - Horizons of Quantum Chemistry: Proceedings of the …, 1989 - Springer
Current studies in density functional theory and density matrix functional theory are
reviewed, with special attention to the possible applications within chemistry. Topics …
reviewed, with special attention to the possible applications within chemistry. Topics …
Density functional theory
RG Parr - Electron Distributions and the Chemical Bond, 1982 - Springer
Contemporary quantum chemistry presents a quandry. Solution of the Schrodinger equation
proceeds to higher and higher accuracy, and molecular properties are computed ever more …
proceeds to higher and higher accuracy, and molecular properties are computed ever more …
Exact Ansatz of Fermion-Boson Systems for a Quantum Device
We present an exact Ansatz for the eigenstate problem of mixed fermion-boson systems that
can be implemented on quantum devices. Based on a generalization of the electronic …
can be implemented on quantum devices. Based on a generalization of the electronic …
Contracted Schrödinger equation: Determining quantum energies and two-particle density matrices without wave functions
DA Mazziotti - Physical Review A, 1998 - APS
The contracted Schrödinger equation (CSE) technique through its direct determination of the
two-particle reduced density matrix (2RDM) without the wave function may offer a fresh …
two-particle reduced density matrix (2RDM) without the wave function may offer a fresh …
Reduced-density-matrix mechanics: with application to many-electron atoms and molecules
AJ Coleman - … -Density-Matrix Mechanics: with applications to …, 2007 - Wiley Online Library
In the 1950s several scientists including Joseph Mayer, John Coleman, Per-Olov Lowdin,
and Charles Coulson expounded on the possibilities for using the twoelectron reduced …
and Charles Coulson expounded on the possibilities for using the twoelectron reduced …
Approximate solution for electron correlation through the use of Schwinger probes
DA Mazziotti - Chemical physics letters, 1998 - Elsevier
Quantum energies and two-particle reduced density matrices (2-rdms) may be determined
without using the N-particle wavefunction by combining the reconstruction of higher rdms …
without using the N-particle wavefunction by combining the reconstruction of higher rdms …
Two-electron reduced density matrix as the basic variable in many-electron quantum chemistry and physics
DA Mazziotti - Chemical reviews, 2012 - ACS Publications
When Schrödinger1 derived the now-famous equation bearing his name in 1925, new
possibilities emerged for the theoretical and computational prediction of energies and …
possibilities emerged for the theoretical and computational prediction of energies and …
Density functional. Theory and application to atoms and molecules
Á Nagy - Physics Reports, 1998 - Elsevier
The density functional theory is one of the most efficient and promising methods of quantum
physics and chemistry. It is a theory of electronic structure formulated in terms of the electron …
physics and chemistry. It is a theory of electronic structure formulated in terms of the electron …