many-electron
91Liaisons Halogènes — Liaison halogène Il existe un monde parallèle à celui de la liaison hydrogène (HB), qui est celui de la liaison halogène (XB) qui s établit entre les atomes d halogènes électrodéficients (appauvris en densité électronique), facilement… …
92Hooke's atom — Hooke s atom, also known as harmonium, refers to an artificial helium like atom where the Coulombic electron nucleus interaction potential is replaced by a harmonic potential. [cite book |last=Lucjan |first=Piela |title=Ideas of Quantum Chemistry …
93Møller-Plesset perturbation theory — (MP) is one of several quantum chemistry post Hartree Fock ab initio methods in the field of computational chemistry. It improves on the Hartree Fock method by adding electron correlation effects by means of Rayleigh Schrödinger perturbation… …
94Electronic density — In quantum mechanics, and in particular quantum chemistry, the electronic density is a probabilistic measure of the number of electrons occupying a given element of space. It is a scalar quantity depending upon three spatial variables and is… …
95History of chemistry — History of science …
96Debashis Mukherjee — At the 12th ICQC in Kyoto, 2006 Born 17 December 1946( …
97Local-density approximation — The local density approximation (LDA) is an approximation of the exchange correlation (XC) energy functional in density functional theory (DFT) by taking the XC energy of an electron in a homogeneous electron gas of a density equal to the density …
98Exchange interaction — In physics, the exchange interaction is a quantum mechanical effect without classical analog which increases or decreases the expectation value of the energy or distance between two or more identical particles when their wave functions overlap.… …
99Interacción de canje — Dos orbitales d de iones metálicos vecinos: la interacción de canje J se produce entre dos electrones con el mismo número cuántico de espín Ms, e impide que …
100Quantum chemistry — is a branch of theoretical chemistry, which applies quantum mechanics and quantum field theory to address issues and problems in chemistry. The description of the electronic behavior of atoms and molecules as pertaining to their reactivity is one …
