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The Quantified NTO Analysis for the Electronic Excitations of Molecular Many-Body Systems
the Electronic Excitations Molecular Many-Body Systems
2011/9/5
We show that the origin of electronic transitions of molecular many-body systems can be revealed by a quantified natural transition orbitals (QNTO) analysis and the electronic excitations of the total...
A framework for developing new approximate electronic structure methods is presented, in which the correlation energy of a many-electron system in the ground state is computed as in the single-referen...
Many-body dispersion forces of polarizable clusters and liquids
Many-body dispersion forces polarizable clusters liquids
2014/9/24
A system of atoms with embedded Drude dispersion oscillators interacting through dipole-dipole forces is simulated. Using path integrals it is shown that after the coordinates of the dispersion oscill...