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Introduction: The 2p x-ray absorption spectrum of NiO
Introduction: The 2p x-ray absorption spectrum of NiO

... valence wave functions is present also in the ground state, but because all core states are filled, it is not effective and one can approximate the core electrons with their charge. In the final state of an x-ray absorption process one finds a partly filled core state, for example a 2p5 configuratio ...
Reconfigurable Quantum-Dot Molecules Created by Atom
Reconfigurable Quantum-Dot Molecules Created by Atom

... Quantum dots create quantized electronic states with discrete energies [1–3]. When two or more dots are coupled to each other, quantum tunneling can lead to the coherent superposition and entanglement of dot-confined states [4–9], a key ingredient for quantum information processing [10,11]. Coupled ...
Lecture 19: The Aufbau Principle
Lecture 19: The Aufbau Principle

Aula 1 - introdução
Aula 1 - introdução

... • Coordination chemistry began to be developed at the beginning of the 20th century • Great expansion during World War II and immediately after • Crystal field and ligand field theories developed in the 1950’s • Organometallic compounds are discovered and defined in the mid-1950’s (ferrocene) • Ti-b ...
Basic Semiconductor Material Science and Solid State Physics
Basic Semiconductor Material Science and Solid State Physics

... increasing energy, i.e., increasing n, each principal shell is characterized by the appearance of a new kind of orbital corresponding to the highest value of the azimuthal quantum number (which increases by unit value for each “new” principal shell) and the number of possible magnetic quantum number ...
The Pauli Principle
The Pauli Principle

Hund`s Rules, jj-coupling and the g^n Electron
Hund`s Rules, jj-coupling and the g^n Electron

... “Do Hund’s rules apply to g N configuration?” arises and assumes greater relevance as heavier elements are being created. Maybe in the next century semi-stable elements involving occupation of the g−shell will be created and their ground states determined. Will they follow Hund’s rules? Jørgensen[3] ...
Group velocity and phase velocity
Group velocity and phase velocity

Frustrated Quantum Magnetism with Laser-Dressed Rydberg Atoms
Frustrated Quantum Magnetism with Laser-Dressed Rydberg Atoms

... ultra-low temperatures (and entropies), as set by the interaction scales of magnetic interactions. For spin models derived from Hubbard dynamics for atoms in optical lattices, this energy scale is set by the super-exchange processes, J ∼ t2H /U , with tH the hopping amplitude of atoms between lattic ...
A Bose-Einstein condensate interferometer with
A Bose-Einstein condensate interferometer with

Quantification of Linear Entropy for Quantum Entanglement in He, H
Quantification of Linear Entropy for Quantum Entanglement in He, H

Voltage-tunable ferromagnetism in semimagnetic quantum dots with
Voltage-tunable ferromagnetism in semimagnetic quantum dots with

... combination of semiconductor QDs with magnetic impurities looks particularly interesting; information in such magnetic QDs can be stored not only in the number of carriers but also in the form of the Mn magnetization. Currently, magnetic QDs are a hot topic.17–26 One important property of Mndoped na ...
Shell Structure of Nuclei and Cold Atomic Gases in Traps
Shell Structure of Nuclei and Cold Atomic Gases in Traps

... II. Fluctuations and shell structure of BCS gaps in nuclei well described by periodic orbit theory. Non-universal corrections to BCS fluctuations important (beyond RMT). III. Cold Fermi-gas in 2D traps - Detailed shell structure: Hund’s rule for repulsive int.; Pairing type for attractive int. ...
Visualizing the invisible nanoworld: ICT
Visualizing the invisible nanoworld: ICT

Nuclear Physics
Nuclear Physics

... 1. Add up the mass (in atomic mass units, u) of the reactants. 2. Add up the mass (in atomic mass units, u) of the products. 3. Find the difference between reactant and product mass. The missing mass has been converted to energy. 4. Convert mass to kg ( 1 u = 1.66 x 10-27 kg) 5. Use E = mc2 to calcu ...
(a) n
(a) n

... m is the mass (in kg) u is the velocity (in m/s) The wavelength calculated from this equation is known as the de Broglie ...
Coulomb oscillations as a remedy for the helium atom
Coulomb oscillations as a remedy for the helium atom

Section 7.5 Quantum Mechanics and the Atom
Section 7.5 Quantum Mechanics and the Atom

... • This is an absurd example of trying to apply the rules of the subatomic world to the macroscopic world. • A cat in a container with a poison that is released by the emission of a radioactive particle • If the container is closed we don’t know if the poison has been released or not. • So the cat is ...
5.74 Introductory Quantum Mechanics II
5.74 Introductory Quantum Mechanics II

Calculated electron dynamics in an electric field
Calculated electron dynamics in an electric field

... absorbing potential must be avoided. First, the absorbing potential should not turn on so quickly in r that it reflects electrons back into the region of small r. Second, the absorbing potential should not be so weak that the electron can travel all of the way to r52800 a.u. and reflect back into th ...
The Uncertainty Principle and Covalent Bonding
The Uncertainty Principle and Covalent Bonding

... acquire early on in the chemistry curriculum. When it is first mentioned in most textbooks, it is vaguely introduced as a force that “holds” two atoms together. Later on, a more detailed discussion about the nature of the forces involved in this “holding” are discussed. Typically, the H2+ molecule s ...
Ch 24: Quantum Mechanics
Ch 24: Quantum Mechanics

Chapter 12 - NCERT books
Chapter 12 - NCERT books

... deflection. This agreement supported the hypothesis of the nuclear atom. This is why Rutherford is credited with the discovery of the nucleus. In Rutherford’s nuclear model of the atom, the entire positive charge and most of the mass of the atom are concentrated in the nucleus with the electrons som ...
A Primer to Electronic Structure Computation
A Primer to Electronic Structure Computation

763313A QUANTUM MECHANICS II Exercise 1 1. Let A and B be
763313A QUANTUM MECHANICS II Exercise 1 1. Let A and B be

< 1 ... 97 98 99 100 101 102 103 104 105 ... 231 >

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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