Studies in the Quantum Mechanics of Molecules |
Contents
Exact HartreeFock Solutions for One | 2 |
References | 12 |
A Perturbation Theory of Isoelectronic | 15 |
1 other sections not shown
Common terms and phrases
Ao+Bo approximate wave function arbitrary atomic units Bazley and Fox Byers Brown calculate Chem coefficients delta potential model derived Dipole moment dv₂ E-H₂ E₁ E₂ Eckart eigenfunctions eigenvalue problem eigenvalues of H electron energy eigenvalues exp spo expectation values F.Weinhold given Gram determinant ground state energy H₂ Hartree-Fock equation helium Ho,k Hylleraas INTERMEDIATE BRACKETING THEOREMS intermediate Hamiltonians internuclear separation introduce isoelectronic linear Löwdin's bracketing theorem lower bound formula Math matrix method molecular systems Natl numbers obtained one-electron orbitals overlap perimetric coordinates perturbation Phys Proc quantum mechanics radius of convergence region D respect Schrödinger equation Schwarz inequality SECTION solutions solved space Table VI.2 THEOREMS FOR LOWER thesis three-particle system tonians total Hartree-Fock energy truncated Hamiltonians University of Manchester University of Wisconsin upper bound VARIATIONAL ERROR BOUNDS WANG wave function wavefunction Weinhold