Zobrazeno 1 - 10
of 191
pro vyhledávání: '"Drummond, N. D."'
We present a study of spin-unpolarized and spin-polarized two-dimensional uniform electron liquids using variational and diffusion quantum Monte Carlo (VMC and DMC) methods with Slater-Jastrow-backflow trial wave functions. Ground-state VMC and DMC e
Externí odkaz:
http://arxiv.org/abs/2405.00425
Publikováno v:
Phys. Rev. Research 6, 013078 (2024)
We analyze the scattering of light from dipolar emitters whose disordered positions exhibit correlations induced by static, long-range dipole-dipole interactions. The quantum-mechanical position correlations are calculated for zero temperature bosoni
Externí odkaz:
http://arxiv.org/abs/2310.16158
Variational and diffusion quantum Monte Carlo (VMC and DMC) methods with Slater-Jastrow-backflow trial wave functions are used to study the spin-polarized three-dimensional uniform electron fluid. We report ground state VMC and DMC energies in the de
Externí odkaz:
http://arxiv.org/abs/2306.13426
We use the variational quantum Monte Carlo (VMC) method to study the wire width ($b$) and electron density ($r_\text{s}$) dependences of the ground-state properties of quasi-one-dimensional paramagnetic electron fluids. The onset of a quasi-Wigner cr
Externí odkaz:
http://arxiv.org/abs/2212.02225
The variational and diffusion quantum Monte Carlo methods are used to calculate the correlation energy of the paramagnetic three-dimensional homogeneous electron gas at intermediate to high density. Ground state energies in finite cells are determine
Externí odkaz:
http://arxiv.org/abs/2209.10227
Publikováno v:
Phys. Rev. A 106, 062822 (2022)
Three-dimensional (3D) excitonic complexes influence the optoelectronic properties of bulk semiconductors. More generally, correlated few-particle molecules and ions, held together by pairwise Coulomb potentials, play a fundamental role in a variety
Externí odkaz:
http://arxiv.org/abs/2209.13522
Autor:
Mostaani, E., Hunt, R. J., Thomas, D. M., Szyniszewski, M., Montblanch, A. R. P., Barbone, M., Atature, M., Drummond, N. D., Ferrari, A. C.
The photoluminescence (PL) spectra of monolayer (1L) semiconductors feature peaks ascribed to different charge-carrier complexes. We perform diffusion quantum Monte Carlo simulations of the binding energies of these complexes and examine their respon
Externí odkaz:
http://arxiv.org/abs/2209.01593
Publikováno v:
Phys. Rev. Lett. 129, 166403 (2022)
We present an analysis of positron lifetimes in solids with unprecedented depth. Instead of modeling correlation effects with density functionals, we study positron-electron wave functions with long-range correlations included. This gives new insight
Externí odkaz:
http://arxiv.org/abs/2202.13204
Autor:
Cassella, G., Sutterud, H., Azadi, S., Drummond, N. D., Pfau, D., Spencer, J. S., Foulkes, W. M. C.
Deep neural networks have been extremely successful as highly accurate wave function ans\"atze for variational Monte Carlo calculations of molecular ground states. We present an extension of one such ansatz, FermiNet, to calculations of the ground st
Externí odkaz:
http://arxiv.org/abs/2202.05183
Autor:
Azadi, Sam, Drummond, N. D.
Publikováno v:
Phys. Rev. B (2022)
Variational and diffusion quantum Monte Carlo methods are employed to investigate the zero-temperature phase diagram of the three-dimensional homogeneous electron gas at very low density. Fermi fluid and body-centered cubic Wigner crystal ground stat
Externí odkaz:
http://arxiv.org/abs/2201.08743