نتایج جستجو برای: exchange andcorrelation energy
تعداد نتایج: 838947 فیلتر نتایج به سال:
This paper proposes an optimal transmission expansion planning (TEP) which is based on determining share of each line in merchandizing surplus (MS) of system, determining by Independent System Operator (ISO). The more share of a line in MS of system denotes the priority of a line for expansion. The procedure of determining MS of each line in a power system is based on determining the MS share o...
The virial of the exchange potential in density functional theory yields the exchange energy, but the virial of the correlation potential does not yield the correlation energy. Via the adiabatic connection formula, we define a hypercorrelated potential whose virial is exactly the correlation energy. This exchange-correlation energy density is uniquely determined by the exchange-correlation ener...
We calculate the stopping power for heavy-ion diclusters moving in a strongly coupled two-dimensional electron gas system by using the local field corrected dielectric function at finite temperature. We obtain a parameterized local field correction factor based on a relation between the thermal compressibility and exchange-correlation energy in two-dimension. The interpolated parameter is deriv...
in this thesis, structural, electronical, and optical properties of inverse pervskite(ca3pbo) in cubic phase have been investigated.the calculation have been done based on density functional theory and according to generalized gradiant approximate (gga) as correlating potential. in order to calculate the configurations, implementing in the wien2k code have been used from 2013 version. first of ...
the electronic structure, energy band structure and electronic density of 2 sno ceramic in cubicphase have been investigated using first principle full potential-linearized augmented plane wave (fp-lapw)method within density functional theory (dft). local density approximation (lda) and the generalizedgradient approximation (gga), which are based on exchange- correlation energy optimization wer...
Ultrafast two dimensional infrared (2D IR) spectroscopy has been applied to probe the intermolecular vibrational energy exchange between two model molecules, benzonitrile and acetonitrile-(d3). The vibrational energy exchange between these two molecules is manifested through the growth of cross peaks in their 2D IR spectra. In experiments, their nitrile groups (CN) are not involved in the energ...
The five-dimensional description of generalized Randall-Sundrum cosmology is mapped via holography to a generalization of the Starobinsky model. This provides a holographic dual description of the cosmological brane-bulk energy exchange processes studied previously. Some simple solutions are presented in four dimensions.
The consequences for the brane cosmological evolution of energy exchange between the brane and the bulk are analysed in detail, in the context of a non-factorizable background geometry with vanishing effective cosmological constant on the brane. A rich variety of brane cosmologies is obtained, depending on the precise mechanism of energy transfer, the equation of state of brane-matter and the s...
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