Related papers: N-Block Separable Random Phase Approximation: Appl…
We extend the capabilities of correlation energy functionals based on the adiabatic-connection fluctuation-dissipation theorem by implementing the analytical atomic forces within the random phase approximation (RPA), in the context of plane…
We formulate a quasi-particle random phase approximation (QRPA) in the coordinate space representation. This model is a natural extension of the RPA model of Shlomo and Bertsch to open-shell nuclei in order to take into account pairing…
The spatial dispersion of the single-nucleon wave functions is analyzed using the self-consistent mean-field framework based on nuclear energy density functionals, and with the harmonic oscillator approximation for the nuclear potential. It…
The Gaussian expansion method (GEM) is extensively applied to the calculations in the random-phase approximation (RPA). We adopt the mass-independent basis-set that has been tested in the mean-field calculations. By comparing the RPA…
Attaining a reliable complete basis set (CBS) limit remains a significant challenge in ab initio correlated electronic-structure calculations. Building on our previous work for atoms and diatomic molecules, we present a finite-element (FE)…
We consider the phase behavior of polymeric systems by calculating the structure factors beyond the Random Phase Approximation. The effect of this correction to the mean-field RPA structure factor is shown to be important in the case of…
A convergence criterion of cluster expansion is presented in the case of an abstract polymer system with general pair interactions (i.e. not necessarily hard core or repulsive). As a concrete example, the low temperature disordered phase of…
Self-consistent factorization of two-body residual interaction is proposed for arbitrary density- and current-dependent energy functionals. Following this procedure, a separable RPA (SRPA) method is constructed. SRPA dramatically simplifies…
We present a new method for modeling disordered solid solutions, based on the virtual crystal approximation (VCA). The VCA is a tractable way of studying configurationally disordered systems; traditionally, the potentials which represent…
In correlated electron materials, the application of many-body techniques for the study of interaction effects or unconventional superconductivity often requires the formulation of an effective low-energy model that contains only the…
Correlated systems at both zero and nonzero temperature are treated here from a novel angle using a functional method. This functional method is an extension of the usual effective potential method. Here, however the effective action is…
The coherent potential approximation, CPA, is a useful tool to treat systems with disorder. Cluster theories have been proposed to go beyond the translation invariant single-site CPA approximation and include some short range correlations.…
We present a generalized theory of microphase separation for charged-neutral diblock copolymer melt. Stability limit of the disordered phase for salt-free melt has been calculated using Random Phase Approximation (RPA) and self-consistent…
The stability of Ne@C$_{60}$ and He@C$_{60}$ is discussed in the context of a spherical model where the carbon atoms are smeared out into a uniform shell. The electronic properties of the sixty $\pi$ electrons together with those of the…
We study the collective excitation spectrum of a d=3 site-disordered Anderson-Hubbard model at half-filling, via a random-phase approximation (RPA) about broken-symmetry, inhomogeneous unrestricted Hartree-Fock (UHF) ground states. We focus…
Concerning the su(2)-Lipkin model, the calculation of the excitation energy to the 1st excited-state gives rise to the following fact: The two results based on the exact treatment and the conventional random phase approximation (RPA) are in…
Self-consistent relativistic random-phase approximation (RPA) in the radial coordinate representation is established by using the finite amplitude method (FAM). Taking the isoscalar giant monopole resonance in spherical nuclei as example,…
A theoretical study of the subpicosecond fragmentation of C60 clusters in response to ultrafast laser pulses is presented. We simulate the laser excitation and the consequent nonequilibrium relaxation dynamics of the electronic and nuclear…
The coherent potential approximation (CPA) is extended to describe satisfactorily the motion of particles in a random potential which is spatially correlated and smoothly varying. In contrast to existing cluster-CPA methods, the present…
A many body Hamiltonian involving the mean field for a projected spherical single particle basis, the pairing interactions for alike nucleons and the dipole-dipole proton-neutron interactions in the particle-hole ($ph$) and…