Single-Particle Properties from Kohn-Sham Green's Functions

An effective action approach to Kohn-Sham density functional theory is used to illustrate how the exact Green's function can be calculated in terms of the Kohn-Sham Green's function. An example based on Skyrme energy functionals shows that single-particle Kohn-Sham spectra can be improved by adding sources used to construct the energy functional.Comment: 9 pages, 3 figure

Gene Master Regulators of Papillary and Anaplastic Thyroid Cancers

We hypothesize that distinct cell phenotypes are governed by different sets of gene master regulators (GMRs) whose strongly protected (by the homeostatic mechanisms) abundance modulates most cell processes by coordinating the expression of numerous genes from the corresponding functional pathways. Gene Commanding Height (GCH), a composite measure of gene expression control and coordination, is introduced to establish the gene hierarchy in each phenotype. If the hypothesis is true, than one can selectively destroy cancer nodules from a heterogeneous tissue by altering the expression of genes whose GCHs are high in cancer but low in normal cell phenotype. Here, we test the hypothesis and show its utility for the thyroid cancer (TC) gene therapy. First, we prove that malignant and cancer free surrounding areas of a surgically removed papillary TC (PTC) tumor are governed by different GMRs. Second, we show that stable transfection of a gene induces larger transcriptomic alterations in the cells where it has higher GCH than in other cells. For this, we profiled the transcriptomes of the papillary BCPAP and anaplastic 8505C TC cell lines before and after stable transfection with NEMP1, DDX19B, PANK2 or UBALD1. The four genes were selected to have similar expression levels but significantly different GCH scores in the two cell lines before transfection. Indeed, each of the four genes triggered larger alterations in the cells where they had larger GCH. Our results prove the feasibility of a personalized gene therapy approach that selectively targets the cancer cells from a tissue

Density Functional Theory for a Confined Fermi System with Short-Range Interaction

Effective field theory (EFT) methods are applied to density functional theory (DFT) as part of a program to systematically go beyond mean-field approaches to medium and heavy nuclei. A system of fermions with short-range, natural interactions and an external confining potential (e.g., fermionic atoms in an optical trap) serves as a laboratory for studying DFT/EFT. An effective action formalism leads to a Kohn-Sham DFT by applying an inversion method order-by-order in the EFT expansion parameter. Representative results showing the convergence of Kohn-Sham calculations at zero temperature in the local density approximation (LDA) are compared to Thomas-Fermi calculations and to power-counting estimates.Comment: 36 pages, 20 figures, RevTeX

Reduction of the Three Dimensional Schrodinger Equation for Multilayered Films

In this paper, we present a method for reducing the three dimensional Schrodinger equation to study confined metallic states, such as quantum well states, in a multilayer film geometry. While discussing some approximations that are employed when dealing with the three dimensionality of the problem, we derive a one dimensional equation suitable for studying such states using an envelope function approach. Some applications to the Cu/Co multilayer system with regard to spin tunneling/rotations and angle resolved photoemission are discussed.Comment: 14 pages, 1 figur

Systematic first-principles study of impurity hybridization in NiAl

We have performed a systematic first-principles computational study of the effects of impurity atoms (boron, carbon, nitrogen, oxygen, silicon, phosporus, and sulfur) on the orbital hybridization and bonding properties in the intermetallic alloy NiAl using a full-potential linear muffin-tin orbital method. The matrix elements in momentum space were used to calculate real-space properties: onsite parameters, partial densities of states, and local charges. In impurity atoms that are empirically known to be embrittler (N and O) we found that the 2s orbital is bound to the impurity and therefore does not participate in the covalent bonding. In contrast, the corresponding 2s orbital is found to be delocalized in the cohesion enhancers (B and C). Each of these impurity atoms is found to acquire a net negative local charge in NiAl irrespective of whether they sit in the Ni or Al site. The embrittler therefore reduces the total number of electrons available for covalent bonding by removing some of the electrons from the neighboring Ni or Al atoms and localizing them at the impurity site. We show that these correlations also hold for silicon, phosporus, and sulfur.Comment: Revtex, 8 pages, 7 eps figures, to appear in Phys. Rev.

Toward ab initio density functional theory for nuclei

We survey approaches to nonrelativistic density functional theory (DFT) for nuclei using progress toward ab initio DFT for Coulomb systems as a guide. Ab initio DFT starts with a microscopic Hamiltonian and is naturally formulated using orbital-based functionals, which generalize the conventional local-density-plus-gradients form. The orbitals satisfy single-particle equations with multiplicative (local) potentials. The DFT functionals can be developed starting from internucleon forces using wave-function based methods or by Legendre transform via effective actions. We describe known and unresolved issues for applying these formulations to the nuclear many-body problem and discuss how ab initio approaches can help improve empirical energy density functionals.Comment: 69 pages, 16 figures, many revisions based on feedback. To appear in Progress in Particle and Nuclear Physic

Eft for DFT

These lectures give an overview of the ongoing application of effective field theory (EFT) and renormalization group (RG) concepts and methods to density functional theory (DFT), with special emphasis on the nuclear many-body problem.Comment: 57 pages, to appear in the proceedings of the ECT* school on "Renormalization Group and Effective Field Theory Approaches to Many-Body Systems", Springer Lecture Notes in Physics; acknowledgment adde

Reincarnation and Community amongst the Druze of Mount Lebanon

Senior Project submitted to The Division of Social Studies of Bard College

Interactive Virtual Expert System for Advising (InVEStA)

... Virtual Expert System for Advising—to assist undergraduate students and their advisors in providing timely, accurate and conflict-free schedules. The proposed system is based on Java and object-relational database technologies and consists of the Database Layer, Transaction Layer, Scheduler and the web-based Front-End. The Transaction layer transmits requests and data back and forth to the other system components and provides multi-user capabilities. The Scheduler provides non-conflicting class schedules based on pre-specified requirements. The front-end provides the client’s interface. In this paper we discuss the structure and functionality of the system with particular emphasis on database design and specifics of the scheduling algorithm. Also, we discuss issues related to advising double and multiple majors and to auditing students that change or add majors during the course of their studies. Finally, we discuss some practical issues related to the implementation of the system and its launching in a middle-sized university