Zobrazeno 1 - 10
of 72
pro vyhledávání: '"Jonathan C. Boettger"'
Autor:
Jonathan C. Boettger, W. Bang, Brian J. Albright, Paul A. Bradley, Juan C. Fernandez, Erik Vold
Publikováno v:
Scientific Reports
Recent progress in laser-driven quasi-monoenergetic ion beams enabled the production of uniformly heated warm dense matter. Matter heated rapidly with this technique is under extreme temperatures and pressures, and promptly expands outward. While the
Autor:
Jonathan C. Boettger
Publikováno v:
International Journal of Quantum Chemistry. 112:3822-3828
A systematic procedure has been developed for generating the static lattice zero temperature isotherm of a monatomic crystalline solid to arbitrarily high compressions using the linear combinations of Gaussian type orbitals-fitting function electroni
Autor:
Jonathan C. Boettger
Publikováno v:
International Journal of Quantum Chemistry. 109:3564-3569
The static-lattice equation of state (EOS) and structural phase stability of Thorium Dioxide (ThO2) have been investigated for pressures up to 500 kbar using the relativistic linear combinations of Gaussian type orbitals-fitting function (LCGTO-FF) t
Autor:
Jonathan C. Boettger
Publikováno v:
International Journal of Quantum Chemistry. 107:2988-2994
The static–lattice equation of state (EOS) and electronic energy bands of rocksalt structure cadmium-oxide (CdO) have been calculated for lattice constants ranging from 9.2 to 8.2 bohr, with and without relativistic corrections included, using two
Autor:
Jonathan C. Boettger, Brian J. Albright, W. Bang, Paul A. Bradley, Erik Vold, Juan C. Fernandez
In a recent experiment on the Trident laser facility, a laser-driven beam of quasi-monoenergetic aluminum ions was used to heat solid gold and diamond foils isochorically to 5.5 eV and 1.7 eV, respectively. Here theoretical calculations are presented
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2503bda18cbeb84092eb90119ca8fc13
Publikováno v:
Journal of Physics and Chemistry of Solids. 67:2033-2040
We calculate the static lattice energy (cold curve), phonon spectrum, and electronic density of states of compressed Cu from electronic structure theory. In the regime 1 ⩾ V / V 0 ⩾ 0.6 , our ab initio thermal free energy is combined with an empi
Autor:
Asok K. Ray, Jonathan C. Boettger
Publikováno v:
International Journal of Quantum Chemistry. 105:564-570
Linear combinations of Gaussian-type orbital–fitting function (LCGTO-FF) calculations have been used to study quantum size effects in the work function and surface energy of unrelaxed ultra-thin (001) films of fcc (δ) plutonium (Pu), up to five la
Autor:
Jonathan C. Boettger
Publikováno v:
International Journal of Quantum Chemistry. 100:845-850
Fully relativistic density functional theory electronic structure calculations for crystalline solids have become nearly commonplace. It has been demonstrated, however, that two of the more common methods used for such calculations produce spin–orb
Autor:
Jonathan C. Boettger
Publikováno v:
The European Physical Journal B - Condensed Matter. 36:15-20
The magnetic ordering of fluorite structure uranium dioxide has been investigated using fully-relativistic linear combinations of Gaussian type orbitals - fitting function (LCGTO-FF) calculations, within the generalized gradient approximation (GGA) t
Autor:
Jonathan C. Boettger
Publikováno v:
International Journal of Quantum Chemistry. 95:380-386
The magnetic ordering of plutonium (Pu) in its fcc structure δ-phase is investigated using the fully relativistic linear combinations of Gaussian-type orbitals—fitting function (LCGTO-FF) method, within the generalized-gradient approximation to de