Electron Emission from Diamondoids: A Diffusion Quantum Monte Carlo Study
نویسندگان
چکیده
منابع مشابه
Electron emission from diamondoids: a diffusion quantum Monte Carlo study.
We present density-functional theory (DFT) and quantum Monte Carlo (QMC) calculations designed to resolve experimental and theoretical controversies over the optical properties of H-terminated C nanoparticles (diamondoids). The QMC results follow the trends of well-converged plane-wave DFT calculations for the size dependence of the optical gap, but they predict gaps that are 1-2 eV higher. The...
متن کاملDiffusion Monte Carlo study of a valley-degenerate electron gas and application to quantum dots
A many-flavor electron gas MFEG in a semiconductor with a valley degeneracy ranging between 6 and 24 was analyzed using diffusion Monte Carlo DMC calculations. The DMC results compare well to an analytic expression derived by one of us Phys. Rev. B 78, 035111 2008 for the total energy to within 1% over an order of magnitude range of density, which increases with valley degeneracy. For Bi2Te3 si...
متن کاملDiffusion quantum Monte Carlo study of three-dimensional Wigner crystals
We report diffusion quantum Monte Carlo calculations of three-dimensional Wigner crystals in the density range rs5100–150. We have tested different types of orbital for use in the approximate wave functions but none improve upon the simple Gaussian form. The Gaussian exponents are optimized by directly minimizing the diffusion quantum Monte Carlo energy. We have carefully investigated and sough...
متن کاملBilinear diffusion quantum Monte Carlo methods.
The standard method of quantum Monte Carlo for the solution of the Schrödinger equation in configuration space can be described quite generally as devising a random walk that generates-at least asymptotically-populations of random walkers whose probability density is proportional to the wave function of the system being studied. While, in principle, the energy eigenvalue of the Hamiltonian can ...
متن کاملEvaluation of the electron energy fluence and angular distributions from a clinical accelerator. A BEAMnrc Monte Carlo study
Background: Understanding of the incident electron energy and angular distributions from clinical electron accelerators (linacs) is important for dosimetry and treatment planning. The most important goals of this study were to evaluate the energy fluence and angular distributions of electron beams from a Neptun 10PC linac using the Monte Carlo (MC) code. Materials and Methods: The lina...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Review Letters
سال: 2005
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.95.096801