Zobrazeno 1 - 10
of 57
pro vyhledávání: '"Phillips, Jordan J."'
Publikováno v:
J. Chem. Theory Comput., 2016, 12, 564
The temperature-dependent Matsubara Green's function that is used to describe temperature-dependent behavior is expressed on a numerical grid. While such a grid usually has a couple of hundred points for low-energy model systems, for realistic system
Externí odkaz:
http://arxiv.org/abs/1509.04262
One-body Green's function theories implemented on the real frequency axis offer a natural formalism for the unbiased theoretical determination of quasiparticle spectra in molecules and solids. Self-consistent Green's function methods employing the im
Externí odkaz:
http://arxiv.org/abs/1505.05575
Publikováno v:
J. Chem. Phys. 142, 194108 (2015)
We examine fractional charge and spin errors in self-consistent Green's function theory within a second-order approximation (GF2). For GF2 it is known that the summation of diagrams resulting from the self-consistent solution of the Dyson equation re
Externí odkaz:
http://arxiv.org/abs/1503.04148
Autor:
Joshi, Rajendra P., Phillips, Jordan J., Mitchell, Kylie J., Christou, George, Jackson, Koblar A., Peralta, Juan E.
Publikováno v:
In Polyhedron 15 January 2020 176
Publikováno v:
J. Chem. Phys. 141, 194105 (2014)
Embedding calculations that find approximate solutions to the Schr\"{o}dinger equation for large molecules and realistic solids are performed commonly in a three step procedure involving (i) construction of a model system with effective interactions
Externí odkaz:
http://arxiv.org/abs/1409.2921
Autor:
Phillips, Jordan J., Zgid, Dominika
Publikováno v:
J. Chem. Phys. 140, 241101 (2014)
We report an implementation of self-consistent Green's function many-body theory within a second-order approximation (GF2) for application with molecular systems. This is done by iterative solution of the Dyson equation expressed in matrix form in an
Externí odkaz:
http://arxiv.org/abs/1405.3273
Publikováno v:
In Chemical Physics Letters 5 February 2013 557:110-113
Autor:
Phillips, Jordan J., Zgid, Dominika
Publikováno v:
Journal of Chemical Physics; 6/28/2014, Vol. 140 Issue 24, p241101--241101-6, 6p, 1 Diagram, 4 Graphs
Autor:
Phillips, Jordan J., Peralta, Juan E.
Publikováno v:
Journal of Chemical Physics; 11/14/2011, Vol. 135 Issue 18, p184108, 12p
Publikováno v:
Journal of Chemical Physics; 6/7/2011, Vol. 134 Issue 21, p214101, 7p, 1 Diagram, 5 Charts