نتایج جستجو برای: oppenheimer and zalta
تعداد نتایج: 16827421 فیلتر نتایج به سال:
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...
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With recent developments in simulating nonadiabatic systems to high accuracy, it has become possible to determine how much energy is attributed to nuclear quantum effects beyond zero-point energy. In this work, we calculate the non-relativistic ground-state energies of atomic and molecular systems without the Born-Oppenheimer approximation. For this purpose, we utilize the fixed-node diffusion ...
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 present an alternative method for the kinematic analysis of high proper motion surveys and discuss its application to the survey of Oppenheimer et al. (2001) for the selection of reliable halo white dwarfs (WDs). The local WD space density we estimate is ρWD ≃ 1 ÷ 2 · 10 −5 M⊙pc −3 , which is about an order of magnitude smaller than the value derived in Oppenheimer et al. (2001), and is cons...
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...
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