Hypervirial theorems and the hellmann- feynman theorem in different coordinate systems.
Hypervirial theorems and Hellmann-Feynman theorem in different coordinate systems
VIRIAL THEOREM↗
SEARCH · Engineering Papers
Results for “Hellmann Feynman theorem”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Hellmann-Feynman theorem in curvilinear coordinate systems.
Hellmann-Feynman theorem in curvilinear coordinates for exact and for floating variational wave functions
COORDINATE SYSTEM↗
Electrostatic Hellmann-Feynman theorem applied to long-range interatomic forces - The hydrogen molecule.
The use of the electrostatic Hellmann-Feynman theorem for the calculation of the leading term in the 1/R expansion of the force of interaction between two well-separated hydrogen atoms is discussed. Previous work has suggested that whereas this term is determined wholly by the first-order wavefunction when calculated by perturbation theory, the use of the Hellmann-Feynman theorem apparently requires the wavefunction through second order. It is shown how the two results may be reconciled and that the Hellmann-Feynman theorem may be reformulated in such a way that only the first-order wavefunction is required.
Steiner, E.↗
Time-dependent Hellmann-Feynman theorems for variational wavefunctions.
Conditions under which optimal wave functions satisfy various time-dependent Hellmann-Feynman theorems
HELLMANN-FEYNMAN THEOREM↗
Electrostatic Hellmann-Feynman theorem applied to the long-range interaction of two hydrogen atoms.
Long range interaction of two H atoms calculated with electrostatic Hellmann-Feynman theorem, determining part of second order molecular wave function
ELECTROMAGNETIC INTERACTION↗
Hypervirial Theorems and the Hellman- Feynman Theorem in Different Coordinate Systems
Hypervirial and Hellmann-Feynman theorems in different coordinate systems
COORDINATE SYSTEM↗
Internuclear separation derivatives of the energy of a diatomic molecule.
Higher order derivatives of energy with respect to internuclear separation for diatomic molecules derived from ordinary and integral Hellmann- Feynman theorems
Kim, H.↗
Interatomic forces at very short range.
Electronic energy of interacting atoms at short range, noting Hellman-Feynman theorem for electron density in elliptic coordinates
HELLMANN-FEYNMAN THEOREM↗
The Internuclear Separation Derivatives of the Energy of a Diatomic Molecule
Hellman-Feynman theorem used for internuclear separation derivatives of diatomic molecule energy
NUCLEAR INTERACTION↗
Time-dependent hypervirial theorems and the like for variational wave functions
Time dependent hypervirial theorem for variational wave functions - variational calculus
VIRIAL THEOREM↗
The nature of intermolecular forces.
Intermolecular forces theory, considering hydrogen atom interaction through Born- Oppenheimer approximation and variational calculations
ATOMIC COLLISION↗
New force theorem.
New force theorem for determining molecular energy derivatives with respect to internuclear distance derived from Hellmann-Feynman expression
MOLECULAR ENERGY↗