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Akademický článek
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Publikováno v:
Phys. Rev. B 93, 155146 (2016)
Knowledge of exact properties of the exchange-correlation (xc) functional is important for improving the approximations made within density functional theory. Features such as steps in the exact xc potential are known to be necessary for yielding acc
Externí odkaz:
http://arxiv.org/abs/1603.04816
Publikováno v:
Journal of Physics: Condensed Matter 30 065901 (2018)
Electron localization is the tendency of an electron in a many-body system to exclude other electrons from its vicinity. Using a new natural measure of localization based on the exact manyelectron wavefunction, we find that localization can vary cons
Externí odkaz:
http://arxiv.org/abs/1505.07687
Publikováno v:
Phys. Rev. B 90, 241107(R) (2014)
We introduce a new functional for simulating ground-state and time-dependent electronic systems within density-functional theory. The functional combines an expression for the exact Kohn-Sham (KS) potential in the limit of complete electron localizat
Externí odkaz:
http://arxiv.org/abs/1409.5666
Publikováno v:
Phys. Rev. B 89 195114 (2014)
We obtain the exact Kohn-Sham potentials $V_{\mathrm{KS}}$ of time-dependent density-functional theory for 1D Hubbard chains, driven by a d.c.\ external field, using the time-dependent electron density and current density obtained from exact many-bod
Externí odkaz:
http://arxiv.org/abs/1405.0885
Autor:
Ramsden, J. D., Godby, R. W.
We calculate the exact Kohn-Sham (KS) scalar and vector potentials that reproduce, within current-density functional theory, the steady-state density and current density corresponding to an electron quasiparticle added to the ground state of a model
Externí odkaz:
http://arxiv.org/abs/1310.5887
Autor:
Nadareishvili, M. M., Kvavadze, K. A., Hussey, N. E., Shengelaya, A. J., Tsakadze, S. J., Ramsden, J.
The investigations of low-temperature heat capacity in pure and impurity doped high temperature superconductors have been performed by high-precision pulsed differential scanning calorimeter, providing the measurements of heat capacities under the th
Externí odkaz:
http://arxiv.org/abs/1210.2049
Autor:
Ramsden, J. D., Godby, R. W.
We calculate the exact Kohn-Sham potential that describes, within time-dependent density-functional theory, the propagation of an electron quasiparticle wavepacket of non-zero crystal momentum added to a ground-state model semiconductor. The potentia
Externí odkaz:
http://arxiv.org/abs/1206.6035
Autor:
Jaliashvili, Z. V., Medoidze, T. D., Melikishvili, Z. G., Mardaleishvili, K. M., Ramsden, J. J.
Laser illumination of tissue results in a characteristic fluorescence emission spectrum whose features depend on the type of tissue, viz., healthy, adenoma or malignant. Hence measurement of the fluorescence is potentially a rapid and reliable diagno
Externí odkaz:
http://arxiv.org/abs/physics/0502102
Akademický článek
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