Search results for "Slater"
showing 10 items of 30 documents
Quantum transport of single neutral atoms
2007
The state-selective (quantum) transport of single neutral atoms stored in a one dimensional optical lattice is a promising technique to implement controlled atomic interaction using coherent cold collisions. This is required in several schemes of quantum information processing. Here, we present a technical implementation of the quantum transport scheme for one, two and more caesium atoms, as well as the manipulation and detection of their internal states.
A consistent microscopic theory of collective motion in the framework of an ATDHF approach
1978
Based on merely two assumptions, namely the existence of a collective Hamiltonian and that the collective motion evolves along Slater determinants, we first derive a set of adiabatic time-dependent Hartree-Fock equations (ATDHF) which determine the collective path, the mass and the potential, second give a unique procedure for quantizing the resulting classical collective Hamiltonian, and third explain how to use the collective wavefunctions, which are eigenstates of the quantized Hamiltonian.
Isospin-breaking corrections to superallowed Fermi beta-decay in isospin- and angular momentum-projected nuclear Density Functional Theory
2012
Background: The superallowed beta-decay rates provide stringent constraints on physics beyond the Standard Model of particle physics. To extract crucial information about the electroweak force, small isospin-breaking corrections to the Fermi matrix element of superallowed transitions must be applied. Purpose: We perform systematic calculations of isospin-breaking corrections to superallowed beta-decays and estimate theoretical uncertainties related to the basis truncation, time-odd polarization effects related to the intrinsic symmetry of the underlying Slater determinants, and to the functional parametrization. Methods: We use the self-consistent isospin- and angular-momentum-projected nuc…
Analytic gradients for Mukherjee’s multireference coupled-cluster method using two-configurational self-consistent-field orbitals
2010
Analytic gradients for the state-specific multireference coupled-cluster method suggested by Mahapatra et al. [Mol. Phys. 94, 157 (1998)] (Mk-MRCC) are reported within the singles and doubles approximation using two-configurational self-consistent field (TCSCF) orbitals. The present implementation extends our previous work on Mk-MRCC gradients [E. Prochnow et al., J. Chem. Phys. 131, 064109 (2009)] which is based on restricted Hartree-Fock orbitals and consequently the main focus of the present paper is on the treatment of orbital relaxation at the TCSCF level using coupled-perturbed TCSCF theory. Geometry optimizations on m-arynes and nitrenes are presented to illustrate the influence of t…
No-core configuration-interaction model for the isospin- and angular-momentum-projected states
2016
[Background] Single-reference density functional theory is very successful in reproducing bulk nuclear properties like binding energies, radii, or quadrupole moments throughout the entire periodic table. Its extension to the multi-reference level allows for restoring symmetries and, in turn, for calculating transition rates. [Purpose] We propose a new no-core-configuration-interaction (NCCI) model treating properly isospin and rotational symmetries. The model is applicable to any nucleus irrespective of its mass and neutron- and proton-number parity. It properly includes polarization effects caused by an interplay between the long- and short-range forces acting in the atomic nucleus. [Metho…
Indefinite integrals involving the incomplete elliptic integrals of the first and second kinds
2016
ABSTRACTA substantial number of indefinite integrals are presented for the incomplete elliptic integrals of the first and second kinds. The number of new results presented is about three times the total number to be found in the current literature. These integrals were obtained with a Lagrangian method based on the differential equations which these functions obey. All results have been checked numerically with Mathematica. Similar results for the incomplete elliptic integral of the third kind will be presented separately.
First North American Record of the Old World CylapineFulvius subnitensPoppius (Hemiptera: Heteroptera: Miridae) from Virginia, with Descriptions and …
2011
Abstract. The first North American record for Fulvius subnitens Poppius is reported based on one specimen collected in southcentral Virginia. Fulvius anthocoroides (Reuter), Fulvius imbecilis (Say), Fulvius slateri Wheeler, and Fulvius subnitens are diagnosed and described, and color images of adults, updated distributions, a review of feeding habits, and an identification key are provided. For each species, the nomenclatural history and most important citations are given.
On fermionic shadow wave functions for strongly correlated multi-reference systems based on a single Slater determinant
2015
We demonstrate that extending the Shadow Wave Function to fermionic systems facilitates to accurately calculate strongly-correlated multi-reference systems such as the stretched H2 molecule. This development considerably extends the scope of electronic structure calculations and enables to efficiently recover the static correlation energy using just a single Slater determinant.
Small Clusters Made of Helium Atoms
2003
Helium atoms interact very weakly through a van der Waals potential. Nevertheless, they are able to form aggregates or drops with a small number of atoms. This work analyzes the stability of clusters made of 4He atoms, of bosonic nature, clusters made of 3He atoms, of fermionic nature and also mixed aggregates with both kinds of constituents. Some of these drops are predicted to be unstable.
Optimality Conditions for Non-Qualified Parabolic Control Problems
1994
We consider parabolic state constrained optimal control problems where the usual Slater condition is not necessarily satisfied. Instead, a weaker interiority property is assumed. Optimality conditions with a Lagrange multiplier are given. As an application we present an augmented Lagrangian algorithm. Numerical test results are included.