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2. Prediction of Crystal Structures
2. Prediction of Crystal Structures

... beginning. For applications like structure prediction or search for possible polymorphic forms, where no a priori space group information is available, possible space groups have to be tested separately. Fortunately only a very limited number of crystal symmetries are common (P21/c, Z=4; P212121, Z= ...
1000 Solved Problems in Modern Physics
1000 Solved Problems in Modern Physics

Quantum Mechanics
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Ground-state stability and criticality of two-electron atoms
Ground-state stability and criticality of two-electron atoms

... scattering processes were recently presented [12] using Yukawa potentials. To examine near threshold behavior, the Finite Size Scaling (FSS) approach is needed in order to extrapolate results obtained from finite systems to the complete basis set limit. FSS is not only a formal way to understand the ...
discrete bose-einstein systems in a box with low adiabatic invariant
discrete bose-einstein systems in a box with low adiabatic invariant

... Abstract. The Bose-Einstein energy spectrum of a quantum gas, confined in a rigid (cubic) box, is discrete and strongly dependent on the box geometry and temperature, for low product of the atomic mass number, Aat and the adiabatic invariant, TV2/3, i.e. on  = AatTV2/3. Even within the approximatio ...
Quantum Disentanglement Eraser
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Radiative Transitions between Electronic States
Radiative Transitions between Electronic States

... will usually result in a complex stablized by some charge-transfer interactions if M*N properties are distinct this is an exciplex or excimer Exciplex/mer emission will occur to a very weakly bound or dissociative ground state Favourable formation is a balance with entropic considerations ...
Chapter 4
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A Guide to Molecular Mechanics and Quantum Chemical Calculations
A Guide to Molecular Mechanics and Quantum Chemical Calculations

Solved Problems on Quantum Mechanics in One
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... Given here are solutions to 15 problems on Quantum Mechanics in one dimension. The solutions were used as a learning-tool for students in the introductory undergraduate course Physics 200 Relativity and Quanta given by Malcolm McMillan at UBC during the 1998 and 1999 Winter Sessions. The solutions w ...
Alkali D Line Data
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... Here, P is the air pressure in Pa, T is the temperature in ◦ C, κ is the vacuum wave number kL /2π in µm−1 , and f is the partial pressure of water vapor in the air, in Pa (which can be computed from the relative humidity via the Goff-Gratch equation [12]). This formula is appropriate for laboratory ...
Decoherence and Thermalization M. Merkli and I.M. Sigal G.P. Berman
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Conductance of a quantum wire in the Wigner crystal regime
Conductance of a quantum wire in the Wigner crystal regime

Electron-hole correlations in semiconductor quantum dots with tight-binding wave functions
Electron-hole correlations in semiconductor quantum dots with tight-binding wave functions

... parameters. However, it is sensitive to the choice of atomic orbitals; this sensitivity decreases with increasing dot size. Quantitatively, tight-binding treatments of Coulomb interactions are reliable for dots with radii larger than 15–20 Å . Further, the effective range of the electron-hole exchan ...
Grid Enabled Molecular Dynamics: classical and quantum algorithms
Grid Enabled Molecular Dynamics: classical and quantum algorithms

Quantum defect theory description of weakly bound levels and Feshbach...
Quantum defect theory description of weakly bound levels and Feshbach...

... combinations of single channel solutions (fi , gi ) in the appropriate long range potential for each channel i. In the present context, of course, those are van der Waals long range potentials in every channel. For other applications, a simpler ‘frame transformation (FT) approximation’ that we abbre ...
Generalized variational principle for excited states using nodes of
Generalized variational principle for excited states using nodes of

Cold collisions: chemistry at ultra-low temperatures; in: Tutorials in molecular
Cold collisions: chemistry at ultra-low temperatures; in: Tutorials in molecular

... is Planck’s constant divided by 2π. The wave functions corresponding to different values of the quantum number l are referred to as partial waves. The classical expression lc = µvb [Eq. (26)] shows that for a fixed value of lc , the impact parameter b goes to infinity when the velocity v goes to zer ...
Absorption Spectra and Electron-Vibration Coupling of Ti:Sapphire
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Electrons
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... • Electrons can absorb varying sized quanta and “jump” to varying excited states • They also “drop” from excited state to ground state and release a different amount of energy and a different color of light • In any given sample of an element, all possible jumps and drops are taking place • Not all ...
Learning station V: Predicting the hydrogen emission lines with a
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Characterization of ultrashort-period GaAsrAlAs superlattices by exciton photoluminescence V.G. Litovchenko
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... non line and weak phonon-assisted sidebands at lower energy. Zero-phonon line originates from recombination of the excitons consisting of the X z electrons of AlAs and the G heavy holes of GaAs and will be discussed below. On the contrary, PL spectra of the 1r1, 2r2, 3r3 and 8r46 SLs are typical for ...
lecture notes, page 2
lecture notes, page 2

0378.PDF
0378.PDF

Doubly excited nonautoionizing P, D, and F states of helium with
Doubly excited nonautoionizing P, D, and F states of helium with

... plays an important role in the investigation of doubly excited states of helium atom as the two electrons are strongly correlated for such states. The importance of the electronelectron correlation become apparent after the pioneering observation of one-photon two-electron spectra of ground state of ...
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Tight binding

In solid-state physics, the tight-binding model (or TB model) is an approach to the calculation of electronic band structure using an approximate set of wave functions based upon superposition of wave functions for isolated atoms located at each atomic site. The method is closely related to the LCAO method used in chemistry. Tight-binding models are applied to a wide variety of solids. The model gives good qualitative results in many cases and can be combined with other models that give better results where the tight-binding model fails. Though the tight-binding model is a one-electron model, the model also provides a basis for more advanced calculations like the calculation of surface states and application to various kinds of many-body problem and quasiparticle calculations.
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