The electronic properties of graphene

... 2007兲. It has also been suggested that Coulomb interactions are considerably enhanced in smaller geometries, such as graphene quantum dots 共Milton Pereira et al., 2007兲, leading to unusual Coulomb blockade effects 共Geim and Novoselov, 2007兲 and perhaps to magnetic phenomena such as the Kondo effect. ...

... 2007兲. It has also been suggested that Coulomb interactions are considerably enhanced in smaller geometries, such as graphene quantum dots 共Milton Pereira et al., 2007兲, leading to unusual Coulomb blockade effects 共Geim and Novoselov, 2007兲 and perhaps to magnetic phenomena such as the Kondo effect. ...

Ultracold chemistry of a single Rydberg atom in a rubidium

... interacts with the surrounding neutral atoms. Due to the large extension of the Rydberg electron wave function, a large amount of neutral atoms are present inside the Rydberg electron orbit. This mainly leads to two different effects based on the polarizability of the neutral atoms. On the one hand, ...

... interacts with the surrounding neutral atoms. Due to the large extension of the Rydberg electron wave function, a large amount of neutral atoms are present inside the Rydberg electron orbit. This mainly leads to two different effects based on the polarizability of the neutral atoms. On the one hand, ...

computational chemistry

... depth typically necessary to be able to apply the techniques to computational problems. When possible, the chapter ends with a list of steps to be taken for di½cult cases. There are many good books describing the fundamental theory on which computational chemistry is built. The description of that t ...

... depth typically necessary to be able to apply the techniques to computational problems. When possible, the chapter ends with a list of steps to be taken for di½cult cases. There are many good books describing the fundamental theory on which computational chemistry is built. The description of that t ...

Resolution-of-identity approach to Hartree–Fock, hybrid

... surfaces, nano-structures, etc) from first principles play an important role in chemistry and condensed-matter research today. Of particular importance are computational approximations to the many-body Schrödinger or Dirac equations that are tractable and yet retain quantitatively reliable atomic-s ...

... surfaces, nano-structures, etc) from first principles play an important role in chemistry and condensed-matter research today. Of particular importance are computational approximations to the many-body Schrödinger or Dirac equations that are tractable and yet retain quantitatively reliable atomic-s ...

Paper

... of interactions near Feshbach resonances was of limited applicability due to rapid losses. Feshbach resonances were used mainly to access molecular states of dimers and trimers. In contrast, for fermions, losses are heavily suppressed (see below), and so most of this review focuses on strongly inter ...

... of interactions near Feshbach resonances was of limited applicability due to rapid losses. Feshbach resonances were used mainly to access molecular states of dimers and trimers. In contrast, for fermions, losses are heavily suppressed (see below), and so most of this review focuses on strongly inter ...

Theory of ultracold atomic Fermi gases

... with the study of spin polarized configurations with an unequal number of atoms occupying two different spin states. In particular, the Clogston-Chandrasekar limit, where the system loses superfluidity, has been experimentally identified at unitarity 共Shin et al., 2006兲. These configurations provide ...

... with the study of spin polarized configurations with an unequal number of atoms occupying two different spin states. In particular, the Clogston-Chandrasekar limit, where the system loses superfluidity, has been experimentally identified at unitarity 共Shin et al., 2006兲. These configurations provide ...

TrajectoryBased Nonadiabatic Dynamics with TimeDependent

... Until this point, the formulation was kept as general as possible and did not depend on a particular choice of the electronic structure method used to solve the time-dependent Schrçdinger equation for the electrons. In many cases, it is however convenient to map the set of Equations (14) and (15) in ...

... Until this point, the formulation was kept as general as possible and did not depend on a particular choice of the electronic structure method used to solve the time-dependent Schrçdinger equation for the electrons. In many cases, it is however convenient to map the set of Equations (14) and (15) in ...

The Thomas-Fermi model: momentum expectation values

... Within the Thomas-Fermi model including the exchange interaction and contributions of strongly bound electrons, analytical expressions are obtained for all momentum expectation values pb> and for some of the expectation values of powers of the electron density pm> for an atom with an arbit ...

... Within the Thomas-Fermi model including the exchange interaction and contributions of strongly bound electrons, analytical expressions are obtained for all momentum expectation values pb> and for some of the expectation values of powers of the electron density pm> for an atom with an arbit ...

Relativistic effects in atomic and molecular properties

... atoms move rather slowly, at a mere of one percent of light speed. Thus it is that a satisfactory description of the atom can be obtained without Einstein’s revolutionary theory.” Possibly these beliefs were initiated by Dirac himself [2], who wrote in 1929 that ”Relativistic effects are therefore o ...

... atoms move rather slowly, at a mere of one percent of light speed. Thus it is that a satisfactory description of the atom can be obtained without Einstein’s revolutionary theory.” Possibly these beliefs were initiated by Dirac himself [2], who wrote in 1929 that ”Relativistic effects are therefore o ...

Chapter 5: Optical Processes in Semiconductors

... The 2-level system exchanges energy with the EM-field of frequency ω only if the photon energy E=ħω=E2-E1 (resonance) 1) electrons in the ground state E1 absorb a photon and make an up-ward transition to the excited (upper) state E2. 2) electrons in the excited state E2 make a down-ward transition t ...

... The 2-level system exchanges energy with the EM-field of frequency ω only if the photon energy E=ħω=E2-E1 (resonance) 1) electrons in the ground state E1 absorb a photon and make an up-ward transition to the excited (upper) state E2. 2) electrons in the excited state E2 make a down-ward transition t ...

Density functional theory and nuclear quantum effects

... I), and nuclear quantum effects (Part II). Kohn-Sham density functional theory (KSDFT) is by far the most widely used electronic structure theory in condensed matter systems. The computational time of KSDFT increases rapidly with respect to the number of electrons in the system, which hinders its pr ...

... I), and nuclear quantum effects (Part II). Kohn-Sham density functional theory (KSDFT) is by far the most widely used electronic structure theory in condensed matter systems. The computational time of KSDFT increases rapidly with respect to the number of electrons in the system, which hinders its pr ...

The roles of electronic exchange and correlation in charge

... The charge-transfer-to-solvent 共CTTS兲 reactions of solvated atomic anions serve as ideal models for studying the dynamics of electron transfer: The fact that atomic anions have no internal degrees of freedom provides one of the most direct routes to understanding how the motions of solvent molecules ...

... The charge-transfer-to-solvent 共CTTS兲 reactions of solvated atomic anions serve as ideal models for studying the dynamics of electron transfer: The fact that atomic anions have no internal degrees of freedom provides one of the most direct routes to understanding how the motions of solvent molecules ...

Elliptic Preconditioner for Accelerating the Self

... Fermi–Dirac function evaluated at εi . When β is suﬃciently large, the Fermi–Dirac function behaves like a step function that drops from 1 to 0 at μ (which lies between εN and εN +1 ). Spin degeneracy is omitted here for simplicity. In this paper, we assume the Kohn–Sham system (1.1) is deﬁned withi ...

... Fermi–Dirac function evaluated at εi . When β is suﬃciently large, the Fermi–Dirac function behaves like a step function that drops from 1 to 0 at μ (which lies between εN and εN +1 ). Spin degeneracy is omitted here for simplicity. In this paper, we assume the Kohn–Sham system (1.1) is deﬁned withi ...

Physical Chemistry 2nd Edition

... many-electron problem. The Hartree-Fock energy may be written as E HF ET EV E J EK where ET = kinetic energy EV = the electron–nuclear potential energy EJ = Coulomb EK = interaction energy ...

... many-electron problem. The Hartree-Fock energy may be written as E HF ET EV E J EK where ET = kinetic energy EV = the electron–nuclear potential energy EJ = Coulomb EK = interaction energy ...

L-edge X-ray absorption study of mononuclear vanadium complexes

... orbit coupling (SOC) interaction between the potentially many final state multiplets. The SOC interaction dominates the spectral appearance and is responsible for the splitting into distinct L3 and L2 edges. Therefore, L-edge spectra cannot, in general, successfully be interpreted on the basis of a ...

... orbit coupling (SOC) interaction between the potentially many final state multiplets. The SOC interaction dominates the spectral appearance and is responsible for the splitting into distinct L3 and L2 edges. Therefore, L-edge spectra cannot, in general, successfully be interpreted on the basis of a ...

Chapter 1 The Kondo screening cloud: what it is and

... experiments. This is simply the magnetic polarization of the electrons as a function of distance from the impurity, in linear response to a magnetic field (applied to both the impurity and the conduction electrons). The second (Sub-Section 1.2.2) is the charge density (Friedel) oscillations, as a fu ...

... experiments. This is simply the magnetic polarization of the electrons as a function of distance from the impurity, in linear response to a magnetic field (applied to both the impurity and the conduction electrons). The second (Sub-Section 1.2.2) is the charge density (Friedel) oscillations, as a fu ...

The Propagators for Electrons and Positrons 2

... Diagram 2.2e represents the scattering of an electron originating at x moving forward in time, experiencing several scatterings, and ending up at x . Along its way from x to x a pair is produced by a potential acting at x1 ; the two created particles propagate forward in time. The positron of th ...

... Diagram 2.2e represents the scattering of an electron originating at x moving forward in time, experiencing several scatterings, and ending up at x . Along its way from x to x a pair is produced by a potential acting at x1 ; the two created particles propagate forward in time. The positron of th ...