Sagdeev’s Quasipotential approach is extremely suitable for studying large amplitude solitary waves in plasma. One can derive all the one soliton results of perturbation methods and can compare it with the exact results obtained by the Quasipotential (also called the pseudopotential) method. However comparatively fewer works in relativistic plasma and plasma with trapped electrons have used thi...

A pseudopotential generation method is presented which significantly improves transferability. The method exploits flexibility contained in the separable Kleinman-Bylander form of the nonlocal pseudopotential @Phys. Rev. Lett. 48, 1425 ~1982!#. By adjusting the functional form of the local potential, we are able to improve the agreement with all-electron calculations. Results are presented for ...

We propose a promising extension of the path integral molecular dynamics method to Bose-Einstein and Fermi-Dirac statistics. The partition function for the quantum statistics was re-written in a form amenable to the molecular dynamics method with the aid of an idea of pseudopotential for the permutation of particles. Our pseudopotential is a rigorous one describing the whole effect of Bose-Eins...

BAND STRUCTURE CALCULATIONS OF STRAINED SEMICONDUCTORS USING EMPIRICAL PSEUDOPOTENTIAL THEORY FEBRUARY 2011 JISEOK KIM B.S., KYUNGHEE UNIVERSITY SEOUL M.S., BALL STATE UNIVERSITY MUNCIE Ph.D., UNIVERSITY OF MASSACHUSETTS AMHERST Directed by: Professor Massimo V. Fischetti Electronic band structure of various crystal orientations of relaxed and strained bulk, 1D and 2D confined semiconductors ar...

We propose a systematic method of analyzing pseudopotential transferability based on linear-response properties of the free atom, including self-consistent chemical hardness and polarizability. Our calculation of hardness extends the approach of Teter1 not only by including self-consistency, but also by generalizing to non-diagonal hardness matrices, thereby allowing us to test for transferabil...

We present an ab initio pseudopotential local density functional calculation for stoichiometric high-Tc cuprate YBa2Cu3O7 using the plane-wave basis set. We have overcome well-known difficulties in applying pseudopotential methods to first-row elements, transition metals, and rare-earth materials by carefully generating norm-conserving pseudopotentials with excellent transferability and employi...

The projector augmented-wave ~PAW! method was developed by Blöchl as a method to accurately and efficiently calculate the electronic structure of materials within the framework of density-functional theory. It contains the numerical advantages of pseudopotential calculations while retaining the physics of all-electron calculations, including the correct nodal behavior of the valence-electron wa...