Model Atomic Hamiltonians |
From inside the book
Results 1-3 of 4
Page 22
... Correlation energy is common by defined as the differ- ence between the Hartree - Fock energy and the exact energy . 4 The correlation energy for He is .045 a.u. ≈ To measure the extent to which correlation effects are described by the ...
... Correlation energy is common by defined as the differ- ence between the Hartree - Fock energy and the exact energy . 4 The correlation energy for He is .045 a.u. ≈ To measure the extent to which correlation effects are described by the ...
Page 23
... If this difference is taken as a measure of the correlation energy present in the lattice model , then the model describes correlation energy effects to about fifty percent . VII . CONCLUSION In this paper we have constructed simple -23-
... If this difference is taken as a measure of the correlation energy present in the lattice model , then the model describes correlation energy effects to about fifty percent . VII . CONCLUSION In this paper we have constructed simple -23-
Page 24
... correlation effects . The accuracy with which the model represented correlation energy was determined by performing Hartree - Fock calculations on the lattice . These calculations indicated that the correlation energies were given to ...
... correlation effects . The accuracy with which the model represented correlation energy was determined by performing Hartree - Fock calculations on the lattice . These calculations indicated that the correlation energies were given to ...
Common terms and phrases
anticommutation Atom Level Energy atomic radius atomic units basis function cell CORM CORN CORNELL CORNELL CORNELL CORNELL CORNELL LIBRARY CORNELL CORNELL UNIVERSITY CORNELL LIBRARY CORNELL CORNELL LIBRARY UNIVERSITY CORNELL UNDED CORNELL UNIV CORNELL UNIVERSITY LIBRARY correlation effects correlation energy cubic group eigen eigenfunctions eigenstate eigenvalue electron atoms Energy Exp equation exact Hamiltonian experimental energies EZRA EZRA CORNELL finite difference Five postulates FOUNDED CORNELL FOUNDED LIBRARY FOUNDER UNIVERSITY Fourier transforms g terms given in Table graphs ground state energies Hamiltonian matrix Hartree-Fock calculations isoelectronic jump lattice calculation lattice model lattice spacing LIBRARY CORNELL LIBRARY LIBRARY CORNELL UNIVERSITY LIBRARY UNIVE matrix element model Hamiltonians nearest neighbor normalization factor notation ortho OUNDED proper symmetry RSITY Section seven lattice points seven point lattice spatial interchange spectra spin tonian total energy UNIV CORNELL UNIVERSIT UNIVERSITY CORNELL CORNELL UNIVERSITY FOUNDED UNIVERSITY UNIVERSITY vector wave function wavefunction