Results 41 to 50 of about 1,518 (208)

The Virial Theorem As An Entail For Koopmans' Theorem In Atomic Calculations

open access: yes, 2015
The "frozen" approximation in the Koopmans' theorem suggests that the virial theorem is not obeyed. By imposing the virial theorem to Koopmans' theorem, we observe that the ionization potential of an atomic orbital is directly related to the respective ...
Custodio R., CUSTODIO, R
core   +1 more source

COMPARISON OF OPTICAL AND X-RAY MASS ESTIMATES OF THE CHANDRA GALAXY CLUSTERS AT Z < 0.1

open access: yesOdessa Astronomical Publications, 2013
We used the optical data taken from SDSS DR7 galaxy and group catalog to determine the optical mass of 37 nearer Chandra galaxy clusters for comparison with the X-ray mass estimates.
Iu. V. Babyk, I. B. Vavilova
doaj   +1 more source

Virial theorem and hypervirial theorem in a spherical geometry [PDF]

open access: yesJournal of Physics A: Mathematical and Theoretical, 2011
The Virial Theorem in the one- and two-dimensional spherical geometry are presented, in both classical and quantum mechanics. Choosing a special class of Hypervirial operators, the quantum Hypervirial relations in the spherical spaces are obtained.
Li, Yan, Zhang, Fu-Lin, Chen, Jing-Ling
openaire   +2 more sources

GPUMDkit: A User‐Friendly Toolkit for GPUMD and NEP

open access: yesMaterials Genome Engineering Advances, Volume 4, Issue 2, June 2026.
GPUMDkit is a comprehensive and user‐friendly toolkit for GPUMD and NEP programs, integrating format conversion, structure sampling, property calculation, and visualization into a unified interface, substantially lowering the barrier to entry for machine‐learning molecular dynamics simulations with GPUMD and NEP.
Zihan Yan   +22 more
wiley   +1 more source

Virial Theorem for a Molecule [PDF]

open access: yes, 1972
The usual virial theorem, relating kinetic and potential energy, is extended to a molecule by the use of the true wave function. The virial theorem is also obtained for a molecule from a trial wave function which is scaled separately for electronic and ...
Ranade, Manjula A.
core  

Edgewise Bending Strain in Helical Coils With Geodesic Windings Based on Virial Theorem

open access: yes, 2016
0000-0003-1134-4389Distributions of edgewise bending strain in helical coils with the geodesic winding based on virial theorem are analyzed theoretically and numerically.
Tsuji-Iio, Shunji   +7 more
core   +1 more source

Canonical Approaches to Applications of the Virial Theorem [PDF]

open access: yes, 2016
Canonical approaches are applied for investigation of the extraordinarily accurate electronic ground state potentials of H2(+), H2, HeH(+), and LiH using the virial theorem.
Bevan, John W   +3 more
core   +1 more source

From momentum expansions to post-Minkowskian Hamiltonians by computer algebra algorithms

open access: yesPhysics Letters B, 2020
The post-Newtonian and post-Minkowskian solutions for the motion of binary mass systems in gravity can be derived in terms of momentum expansions within effective field theory approaches. In the post-Minkowskian approach the expansion is performed in the
J. Blümlein   +4 more
doaj   +1 more source

The Virial Theorem for Retarded Gravity

open access: yesInternational Journal of Modern Physics D, 2023
The general theory of relativity (GR) is symmetric under smooth coordinate transformations also known as diffeomorphisms. The general coordinate transformation group has a linear subgroup denoted the Lorentz group of symmetry which is maintained also in the weak field approximation to GR.
openaire   +1 more source

Stability of KdV Solitons on the Half‐Line: A Study for Nonhomogeneous Boundary Conditions

open access: yesStudies in Applied Mathematics, Volume 156, Issue 6, June 2026.
ABSTRACT We study the orbital stability and asymptotic stability problems for KdV solitons on the right half‐line for nonhomogeneous boundary conditions in the energy space H1(R+)$H^1(\mathbb {R}^+)$. This paper improves the results of Cavalcante and Muñoz [Revista Matemática Iberoamericana 35, no. 6 (2019); and SIAM Journal on Mathematical Analysis 55,
Luccas Campos   +2 more
wiley   +1 more source

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