尤其是PDOS ，投影态密度Projected Density of States和分波态密度partial density of states 都是PDOS...
而笼统的p轨道,可以认为是Local density of states, Upp_peter 5楼: Originally posted by purplesdd at 2013-10-17 17:42:17 再问一下,那就是projected dos和partial dos求法也是一样的了?我又看到求碳原子px,py,pz的dos,这个是怎么求的呢?... px,py,pz的dos可以通过LORBIT=11的设置来算,如果只是想...
The local density of states (LDOS) provides a description encompassing both the spatial and energetic distribution of the single-particle eigenstates simultaneously. The angular momentum projected density of states (PDOS) decomposes the density of states energetic distribution into angular momentum componen...
Based upon projected local density of states (PLDOS) for photons, we develop a local coupling theory to simultaneously treat the weak and strong interaction between a quantum emitter and photons in arbitrary nanostructures. The PLDOS is mapped by an extremely flexible and efficient method. The ...
Despite the approximate nature of the correspondence, we demonstrate here that the exact quantum Neumann eigenstates can be used to expand and evolve an arbitrary classical density on the energy surface projected on to the configuration space. For the rectangular and stadium billiards, results are ...
Observational and reanalysis datasets reveal a northward shift of the convective regions over northern Africa in summer and an eastward shift in winter in the last four decades, with the changes in the location and intensity of the thermal lows and subtr
(Perdewet al.1996). Practically, the frozen-core approximation is usually introduced to reduce the computational time dramatically. In the approximation, the electron density of the core states of material is assumed to be identical to the density of isolated atoms or ions. For implementation, ...
United States Patent 10225919 Abstract: This disclosure describes systems, methods, and apparatuses for generating an ionizing electromagnetic field via a remote plasma source such that the field controllably extends through a field projection portion where the field attenuates, to a plasma processing ...
BPS statesWe use the auxiliary-fields Monte Carlo method for the shell model in the complete $(pf+0g_{9/2})$-shell to calculate level densities. We introduce parity projection techniques which enable us to calculate the parity dependence of the level density. Results are presented for $^{...
We report spectral functions and density of states obtained from a well-controlled ansatz for the (Ne {\\pm} 1)-electron system. Symmetry projected methods have been widely used for the many-body nuclear physics problem but have received little attention in the solid state community. Given ...