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Conservation of Lateral Momentum in Heterostructure
Conservation of Lateral Momentum in Heterostructure

Charge Rearrangement and Screening in a Quantum Point Contact S. Lu¨scher,
Charge Rearrangement and Screening in a Quantum Point Contact S. Lu¨scher,

New Spin-Orbit-Induced Universality Class in the Integer Quantum Hall Regime
New Spin-Orbit-Induced Universality Class in the Integer Quantum Hall Regime

... probability for such a Zener tunneling [17] depends on the local potential gradient, and is exponentially close to unity for strongly varying potentials [18]. In fact, since the tunneling probability at the saddle-point energy is equal to 1=2 [19], one may expect that for short-correlated potentials ...
Performance of Many–Body Perturbation Theory
Performance of Many–Body Perturbation Theory

... potential. This choice was motivated by a study done by Kumar et al. [7] in 1990 using self-consistent combined Hartree and Poisson solutions. They showed that the 2D harmonic oscillator potential is a good first approximation, at least for few electrons. Theoretically the shell structure was seen a ...
Stability of Complex Biomolecular Structures: van der Waals
Stability of Complex Biomolecular Structures: van der Waals

... focus on the structure with two antiparallel polyQ strands and calculate as well the VDOS given by the Fourier transform of the velocity autocorrelation function from an ab initio MD (AIMD) run (i.e., with classical nuclei) and from the newly proposed thermostated ring polymer molecular dynamics (TR ...
Publication : Relativistic Coupled Cluster Calculations with
Publication : Relativistic Coupled Cluster Calculations with

... (SEVP), and the higher-order QED terms [22]. Our implementation of the MLSO formalism into the Tel Aviv atomic computational package allows us to obtain the VP and SE contributions beyond the usual mean-field level, namely at the DCB-FSCCSD level. The individual QED contributions are presented in Ta ...
Kinetic Energy Estimates for the Accuracy of the Time
Kinetic Energy Estimates for the Accuracy of the Time

"Effects of quantum chemistry models for bound electrons on positron annihilation spectra for atoms and small molecules" New J. Phys. , 14 , 085022 (2012). F. Wang, X. Ma, L. Selvam, G. F. Gribakin, and C. M Surko (PDF)
"Effects of quantum chemistry models for bound electrons on positron annihilation spectra for atoms and small molecules" New J. Phys. , 14 , 085022 (2012). F. Wang, X. Ma, L. Selvam, G. F. Gribakin, and C. M Surko (PDF)

... also started appearing in the recent literature [12–15]. In particular, we have developed and explored a low-energy plane-wave positron (LEPWP) approximation for estimating the Doppler-shift spectra of annihilation γ-rays and tested it for noble gas atoms [12] and small molecules [13–15]. In this ap ...
Real-time, real-space implementation of the linear response time
Real-time, real-space implementation of the linear response time

... The approximation inherent in Eq. (15) may be improved by using the predictor-corrector method [25]. In the method, a density at a time t + Dt is estimated once by Eq. (16). The density at a time t + Dt / 2 is then approximated by (n(t ) + n(t + Dt / 2))/ 2 . Then the Hamiltonian hKS [(n(t ) + n(t + ...
Prof.P. Ravindran, Sommerfield Model for Free Electron Theory
Prof.P. Ravindran, Sommerfield Model for Free Electron Theory

... Sommerfeld proposed this theory in 1928 retaining the concept of free electrons moving in a uniform potential within the metal as in the classical theory, but treated the electrons as obeying the laws of quantum mechanics. Based on the deBroglie wave concept, he assumed that a moving electron behave ...
Role of disorder in half-filled high Landau levels
Role of disorder in half-filled high Landau levels

... Recent experiments have discovered a set of compressible states with anisotropic low-temperature magnetotransport properties in high-mobility quantum Hall systems near half filling of the high Landau levels 共LLs兲.1 Subsequently, it was proposed that these properties, emerging as a consequence of str ...
Chapter 37 - Semiclassical quantization
Chapter 37 - Semiclassical quantization

... Spectral determinants and dynamical zeta functions arise both in classical and quantum mechanics because in both the dynamical evolution can be described by the action of linear evolution operators on infinite-dimensional vector spaces. In quantum mechanics the periodic orbit theory arose from studi ...
Lecture Notes: Condensed Matter Theory I (TKM1)
Lecture Notes: Condensed Matter Theory I (TKM1)

... as the Coulomb interaction between electrons is neither small nor irrelevant. At this point we make this assumption without further justi…cation and come back to it later. We will see that there are numerous situation where the behavior of the electrons is e¤ectively described by non-interacting fer ...
An experimental chemist`s guide to ab initio quantum chemistry
An experimental chemist`s guide to ab initio quantum chemistry

... As a scientific tool, ab initio quantum chemistry is not yet very accurate when compared to modern laser spectroscopic measurements, for example. Moreover, it is difficult to estimate the accuracies with which various methods will predict bond energies and lengths, excitation energies, and the like. ...
Many-body properties of a spherical two
Many-body properties of a spherical two

... modes of the S2DEG.9 In Sec. IV we extend this investigation to include excitations with large angular momentum l 共so that l/L F ⬎1), keeping the regime studied by Inaoka as a limiting case. By investigating a much broader portion of the excitation spectrum, we identify the nature of the excitations ...
Electronic transport for armchair graphene nanoribbons with a
Electronic transport for armchair graphene nanoribbons with a

... Recently, graphene has attracted intensive research attention due to the successful fabrication experiments [1–6]. Several abnormal phenomena have been observed [2,3], such as half integer quantum Hall effect, nonzero Berry’s phase and minimum conductance. These unusual transport properties may resu ...
Spin-Orbit-Mediated Anisotropic Spin Interaction in Interacting Electron Systems
Spin-Orbit-Mediated Anisotropic Spin Interaction in Interacting Electron Systems

... However, either by including magnetic field (Zeeman interaction, see below) in a direction different from y , or by increasing the dimensionality of the dots by reducing the anisotropy of the confining potential, the spin-orbital Hamiltonian acquires additional noncommuting spin operators. The pres ...
Andy Schoefield`s review on Non
Andy Schoefield`s review on Non

Plasmon electron energy-gain spectroscopy
Plasmon electron energy-gain spectroscopy

... cross-section of the nanoshells. (c) Induced electric field intensity along the ẑ direction as a function of distance along the electron trajectory upon irradiation with light of wavelength = 762 nm for gold and 745 nm for silver. Solid curves: contribution of the dipole plasmon. Broken curves: ful ...
Electron shell contributions to gamma
Electron shell contributions to gamma

... (i.e. to the principal quantum number n and the orbital angular quantum number l). Table 2 reports the bound electron contributions to the spectra of the noble gases. It is always the innermost shells, either 1s or 2p, that have the largest FWHM ε, and they are significantly larger than the measure ...
Quantum kinetic theory for a condensed bosonic gas
Quantum kinetic theory for a condensed bosonic gas

... dependence is unaccounted for.1 Although, the set of operators is unspecified so far, it can include operators such as unity (1), number (N̂), linear momentum ( P̂), angular momentum (L̂), and energy (Ĥ). The larger the set of operators, the better the quality of any subsequent approximation. The t ...
Semiclassical formula for the number variance of the Riemann zeros
Semiclassical formula for the number variance of the Riemann zeros

... conform to GUE predictions, long-range statistics (such as the correlations between distant spacings) do not, and are better described in terms of primes. I have argued elsewhere [ 5 , 6 ] that exactly this behaviour would be expected if the E, were eigenvalues not of a random matrix but of the Hami ...
Two-electron effects pervading the formation of highly excited
Two-electron effects pervading the formation of highly excited

Atomistic description of wave function localization effects in InxGa1
Atomistic description of wave function localization effects in InxGa1

Importance of electronic correlations for pnictide superconductor LaFeAsO
Importance of electronic correlations for pnictide superconductor LaFeAsO

... PHYSICAL REVIEW B 84, 054529 (2011) ...
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Density functional theory

Density functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals, i.e. functions of another function, which in this case is the spatially dependent electron density. Hence the name density functional theory comes from the use of functionals of the electron density. DFT is among the most popular and versatile methods available in condensed-matter physics, computational physics, and computational chemistry.DFT has been very popular for calculations in solid-state physics since the 1970s. However, DFT was not considered accurate enough for calculations in quantum chemistry until the 1990s, when the approximations used in the theory were greatly refined to better model the exchange and correlation interactions. In many cases the results of DFT calculations for solid-state systems agree quite satisfactorily with experimental data. Computational costs are relatively low when compared to traditional methods, such as Hartree–Fock theory and its descendants based on the complex many-electron wavefunction.Despite recent improvements, there are still difficulties in using density functional theory to properly describe intermolecular interactions (of critical importance to understanding chemical reactions), especially van der Waals forces (dispersion); charge transfer excitations; transition states, global potential energy surfaces, dopant interactions and some other strongly correlated systems; and in calculations of the band gap and ferromagnetism in semiconductors. Its incomplete treatment of dispersion can adversely affect the accuracy of DFT (at least when used alone and uncorrected) in the treatment of systems which are dominated by dispersion (e.g. interacting noble gas atoms) or where dispersion competes significantly with other effects (e.g. in biomolecules). The development of new DFT methods designed to overcome this problem, by alterations to the functional and inclusion of additional terms to account for both core and valence electrons or by the inclusion of additive terms, is a current research topic.
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