Titlebook: New Trends in Quantum Systems in Chemistry and Physics; Volume 1 Basic Probl J. Maruani,Christian Minot,Stephen Wilson Book 2001 Springer S

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Variational Principle in the Dirac Theory: Spurious Solutions, Unexpected Extrema and Other Trapsat, if the kinetic balance condition is not fulfilled by the trial functions, then the energy hypersurfaces in the space of the nonlinear parameters (the exponents of the basis functions) contain multiple extrema which may easily be taken for solutions of the corresponding variational minimax proble

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Relativistic Valence Bond Theory and its Application to Metastable XE2vistic electronic structure calculation for diatomic molecules. A nonorthogonal basis set is constructed from numerical Dirac-Fock atomic orbitals as well as relativistic Sturmian functions. A symmetric reexpansion of atomic orbitals from one atomic center to another is introduced to simplify the ca

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