نتایج جستجو برای: slater rules
تعداد نتایج: 127857 فیلتر نتایج به سال:
We present a method for constructing a scalar-relativistic pseudopotential that provides exact agreement with relativistic Dirac-Slater all-electron eigenvalues at the reference configuration. All-electron wave functions are self-consistently computed in the valence region at the exact all-electron scalar relativistic eigenvalues. This method improves transferability of the resulting pseudopote...
In this note I say a few words about my interaction with the late Hartley Slater and his work. Si on appelle un chat un chat Cela évite les embrouilles Et on retombe toujours sur ses pattes Baron de Chambourcy 1 From Los Angeles to Helsinki: 20 years of friendship Barry Hartley Slater recently died (July 8, 2016). We are publishing in this issue of the South American Journal of Logic the paper ...
چکیده ندارد.
Short-range repulsion within intermolecular force fields is conventionally described by either Lennard-Jones (A/r(12)) or Born-Mayer (A exp(-Br)) forms. Despite their widespread use, these simple functional forms are often unable to describe the interaction energy accurately over a broad range of intermolecular distances, thus creating challenges in the development of ab initio force fields and...
Hellingwerf, K. J., Arents, J. C. & van Dam, K. (1976) FEBS Lett. 67, 146-148 Klingenberg, M. (1972) in Mitochondria, Biogenesis and Bioenergetics v a n den Berg, S. G., Borst, P., van Deenen, L. L. M., Riemersma, J. C., Slater, E. C. & Tager, J. M., eds.), pp. 147-162, North-Holland, Amsterdam Mitchell, P. (1961) Nature (London) 191, 144 Nicholls, D. G. (1974) Eur. J. Biochern. 50, 305-315 Oes...
Quantum Monte Carlo (QMC) methods such as variational Monte Carlo and fixed node diffusion Monte Carlo depend heavily on the quality of the trial wave function. Although Slater-Jastrow wave functions are the most commonly used variational ansatz in electronic structure, more sophisticated wave functions are critical to ascertaining new physics. One such wave function is the multi-Slater-Jastrow...
Particularly in Sr2IrO4, the interplay between spin-orbit coupling, bandwidth and on-site Coulomb repulsion stabilizes a J(eff) = 1/2 spin-orbital entangled insulating state at low temperatures. Whether this insulating phase is Mott- or Slater-type, has been under intense debate. We address this issue via spatially resolved imaging and spectroscopic studies of the Sr2IrO4 surface using scanning...
We deduce a new set of symmetries and relations between the coefficients of the expansion of Abelian and non-Abelian fractional quantum Hall (FQH) states in free (bosonic or fermionic) many-body states. Our rules allow us to build an approximation of a FQH model state with an overlap increasing with growing system size (that may sometimes reach unity) while using a fraction of the original Hilb...
نمودار تعداد نتایج جستجو در هر سال
با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید