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Molecular Hamiltonian (Read 3965 times)
Gerrit-Jan Linker
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Molecular Hamiltonian
29.08.09 at 14:27:27
Molecular Hamiltonian
Ĥ = ∑KN(K) + ∑ie(i) + ∑i,KeN(i,K) + ∑i>jee(i,j) + ∑K>LNN(K,L)
Kinetic energy of nuclei: ∑KN(K)
Kinetic energy of electrons: ∑ie(i)
Energy of electron-nuclear attraction: ∑i,KeN(i,K)
Energy of electron-electron repulsion: ∑i>jee(i,j)
Energy of nuclear-nuclear repulsion: ∑K>LNN(K,L)
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« Last Edit: 29.08.09 at 14:38:24 by Gerrit-Jan Linker »  

Gerrit-Jan Linker
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