Now showing items 1-6 of 6
Energy‐Moment Methods in Quantum Mechanics
(The American Institute of Physics, 1967-10-15)
Three quantum‐mechanical computational techniques based on energy moments, μk = ∫ dqψ*(q)Hkψ(q)μk=∫dqψ*(q)Hkψ(q), and semimoments, νk(q′) = [Hkψ(q)]q = q′νk(q′)=[Hkψ(q)]q=q′, are formulated. The μ method, which employs the ...
Energy Expectation Values and the Integral Hellmann–Feynman Theorem: H2+ Molecule
(The American Institute of Physics, 1968-08-01)
It is by now well known that the integral Hellmann–Feynman (IHF) theorem has little quantitative utility for chemically interesting problems, although the formalism potentially affords a ready physical interpretation of ...
Empirical Correlations among Monohydride Bond Lengths
(The American Institute of Physics, 1965-06-15)
Relativistic Effects in Chemical Bonding: The H2+ Molecule
(The American Institute of Physics, 1967-04-01)
The behavior of the electron in the ground state of the hydrogen molecular ion is examined using the Dirac theory. Since the resulting set of equations is not readily separable, the variational theorem is applied to obtain ...
On the Bonding Character of First‐Row Monohydrides
(The American Institute of Physics, 1964-12-15)
Direct Calculation of Energy Eigenvalue Spectra from Time Evolution of Nonstationary States
(The American Institute of Physics, 1964-12-01)
An arbitrary function in the eigenfunction space of some quantum‐mechanical Hamiltonian may be thought to represent the initial configuration ψ(q,0) of a nonstationary state. The system develops in time according ...