L2-BO approx

L2-BO approx - Electrons and ions in a molecular or...

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Electrons and ions in a molecular or condensed system The non relativistic Hamiltonian of electrons ( e ) and nuclei ( N ) in a molecule or solid is given by: R = (R 1 ,R 2 ,…,R Na ) denotes the set of nuclear ( N ) coordinates r =(r 1 , r 2 ,…r Ne ) denotes the set of electronic ( e ) coordinates T denotes kinetic energy operators and V potential energy operators In the following atomic units are employed: Length unit: Bohr Radius (0.5292 A) Charge unit: charge of an electron e Mass unit: mass of an electron m e
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Electrons and ions in a molecular or condensed system The non relativistic Hamiltonian of electrons ( e ) and nuclei ( N ) in a molecule or solid is given by: R = (R 1 ,R 2 ,…,R Na ) denotes the set of nuclear ( N ) coordinates r =(r 1 , r 2 ,…r Ne ) denotes the set of electronic ( e ) coordinates T denotes kinetic energy operators and V potential energy operators i=1,Ne,
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Electrons and ions in a molecular or condensed system Wavefunctions of electrons and ions in an isolated molecule or solid In principle, the term: prevents us from separating the electronic and nuclear coordinates and writing the wavefunction as : i=1,Ne,
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The Born-Oppenheimer approximation
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This note was uploaded on 04/04/2011 for the course CHE 110B taught by Professor Galli during the Winter '11 term at UC Davis.

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L2-BO approx - Electrons and ions in a molecular or...

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