The Subspace Sampling Method: A Monte Carlo Approach for Simulating the Single-Particle Density Function and the Equilibrium Constant for Systems Described by Multiple Hamiltonians

1995 ◽  
Vol 99 (34) ◽  
pp. 12980-12987 ◽  
Author(s):  
Chwen-Yang Shew ◽  
Pamela Mills
Keyword(s):  
Monte Carlo ◽  
Equilibrium Constant ◽  
Density Function ◽  
Single Particle ◽  
Sampling Method ◽  
Particle Density ◽  
Monte Carlo Approach ◽  
Single Particle Density

The role of single-particle density in chemistry

1981 ◽  
Vol 53 (1) ◽  
pp. 95-126 ◽  
Author(s):  
Anjuli S. Bamzai ◽  
B. M. Deb
Keyword(s):  
Single Particle ◽  
Particle Density ◽  
Single Particle Density

A SOLVABLE MODEL OF INTERACTING MANY BODY SYSTEMS EXHIBITING A BREAKDOWN OF THE BOLTZMANN EQUATION

2014 ◽  
Vol 28 (03) ◽  
pp. 1450046
Author(s):  
B. H. J. McKELLAR
Keyword(s):  
Boltzmann Equation ◽  
Time Dependence ◽  
Single Particle ◽  
Density Operator ◽  
Particle Density ◽  
Solvable Model ◽  
Many Body ◽  
Single Particle Density ◽  
The Boltzmann Equation ◽  
Many Body Systems

In a particular exactly solvable model of an interacting system, the Boltzmann equation predicts a constant single particle density operator, whereas the exact solution gives a single particle density operator with a nontrivial time dependence. All of the time dependence of the single particle density operator is generated by the correlations.

132Te and single-particle density-dependent pairing

2009 ◽  
pp. 389-390
Author(s):  
N. V. Zamfir ◽  
R. O. Hughes ◽  
R. F. Casten ◽  
D. C. Radford ◽  
C. J. Barton ◽  
...  
Keyword(s):  
Single Particle ◽  
Particle Density ◽  
Density Dependent ◽  
Single Particle Density

scholarly journals THE SINGLE-PARTICLE DENSITY OF STATES AND THE RESONANCE IN THE AHARONOV–BOHM POTENTIAL

1995 ◽  
Vol 09 (22) ◽  
pp. 1407-1417 ◽  
Author(s):  
ALEXANDER MOROZ
Keyword(s):  
Periodic Function ◽  
Cross Section ◽  
Density Of States ◽  
Single Particle ◽  
Particle Density ◽  
Bound State ◽  
Differential Scattering Cross Section ◽  
Bohm Potential ◽  
Single Particle Density ◽  
Aharonov Bohm

The single-particle densitity of states (DOS) for the Pauli and the Schrödinger Hamiltonians in the presence of an Aharonov–Bohm potential is calculated for different values of the particle magnetic moment. The DOS is a symmetric and periodic function of the flux. The Krein–Friedel formula can be applied to this long-ranged potential when regularized with the zeta function. We have found that whenever a bound state is present in the spectrum it is always accompanied by a resonance. The shape of the resonance is not of the Breit-Wigner type. The differential scattering cross section is asymmetric if a bound state is present and gives rise to the Hall effect. As an application, propagation of electrons in a dilute vortex limit is considered and the Hall resistivity is calculated.

Visualizing Covalency and Multiple Bonds in Terms of the Electronic Single-Particle Density Matrix

2001 ◽  
Vol 215 (10) ◽  
Author(s):  
T. Asthalter ◽  
M. Walter
Keyword(s):  
Single Particle ◽  
Organic Molecules ◽  
Graphical Representation ◽  
Particle Density ◽  
Electron System ◽  
Covalent Bonding ◽  
Density Matrices ◽  
Multiple Bonds ◽  
Single Particle Density ◽  
Isoelectronic Series

Two-dimensional cuts through spin-integrated single-particle density matrices (SPDMs) have proven to be a valuable tool to discuss the nature of chemical bonding independent of the degree of rotation of the underlying orbitals in Hilbert space. Starting from a straightforward concept for the interpretation of σ bonds, we briefly present how the transition from purely ionic to mainly covalent bonding is mirrored in the off-diagonal features of the SPDM in the isoelectronic series LiF, BeO and BN. Furthermore, we outline one of several possible ways to extend the graphical representation and interpretation of SPDMs to the case of π bonds in organic molecules and apply it to the conjugated π-electron system 1,6-hexadiynediol.

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