نتایج جستجو برای: oppenheimer method
تعداد نتایج: 1631209 فیلتر نتایج به سال:
In this paper, we study the scattering wave operators for a diatomic molecules by using the Born-Oppenheimer approximation. Assuming that the ratio h between the electronic and nuclear masses is small, we construct adiabatic wave operators that, under some non trapping conditions, approximate the two-cluster wave operators up to any powers of the parameter h.
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We analyze the time reversible Born-Oppenheimer molecular dynamics (TRBOMD) scheme, which preserves the time reversibility of the Born-Oppenheimer molecular dynamics even with non-convergent self-consistent field iteration. In the linear response regime, we derive the stability condition, as well as the accuracy of TRBOMD for computing physical properties, such as the phonon frequency obtained ...
We study non–adiabatic transitions in scattering theory for the time dependent molecular Schrödinger equation in the Born–Oppenheimer limit. We assume the electron Hamiltonian has finitely many levels and consider the propagation of coherent states with high enough total energy. When two of the electronic levels are isolated from the rest of the electron Hamiltonian’s spectrum and display an av...
Jay Portnoy, MD; Jeffrey D. Miller, MD; P. Brock Williams, PhD; Ginger L. Chew, ScD *; J. David Miller, PhD; Fares Zaitoun, MD; Wanda Phipatanakul, MD, MS; Kevin Kennedy, MPH; Charles Barnes, PhD; Carl Grimes, CIEC; Désirée Larenas-Linnemann, MD; James Sublett, MD; David Bernstein, MD; Joann Blessing-Moore, MD; David Khan, MD; David Lang, MD; Richard Nicklas, MD; John Oppenheimer, MD; Christoph...
We consider the Born-Oppenheimer problem near conical intersection in two dimensions. For energies close to the crossing energy we describe the wave function near an isotropic crossing and show that it is related to generalized hypergeometric functions 0 F 3. This function is to a conical intersection what the Airy function is to a classical turning point. As an application we calculate the ano...
An effective action in Hamiltonian form is derived for a self-gravitating sphere of isotropic homogeneous dust. Starting from the Einstein-Hilbert action for barotropic perfect fluids and making use of the symmetry and equation of state of the matter distribution we obtain a family of reduced actions for two canonical variables, namely the radius of the sphere and its ADM energy, the latter bei...
Tetraquarks QQq¯q¯ are found to be described remarkably well with the Quantum Chromodynamics version of Hydrogen bond, as treated Born-Oppenheimer approximation. We show robustness method by computing mass observed Tcc tetraquark following two different paths. Relying on this, we provide a prediction for expected Tbb particle. The average sizes tetraquarks estimated approximately 3–5GeV−1. As c...
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