Inner-shell excitation of open-shell atoms - Shih
... (XC) potentials obtained from uniform electron gas, such as local density approximation (LDA) [3, 4] and generalized gradient approximation (GGA) [4–6], is a ground-state approach. Because of incomplete cancellation of spurious self-interaction energies and inherent degeneracy (due to the use of spi ...
... (XC) potentials obtained from uniform electron gas, such as local density approximation (LDA) [3, 4] and generalized gradient approximation (GGA) [4–6], is a ground-state approach. Because of incomplete cancellation of spurious self-interaction energies and inherent degeneracy (due to the use of spi ...
Quantum Chemistry for Spectroscopy – A Tale of Three Spins (S = 0
... moment for the local bend is antisymmetric with respect to the equilibrium bend angle, its vibrational average is exactly zero, and only the vibrational average for the a-axis dipole is displayed. The bottom axis of Figure 3-4 (b) is numbered according to the vibrational level in the fully permutati ...
... moment for the local bend is antisymmetric with respect to the equilibrium bend angle, its vibrational average is exactly zero, and only the vibrational average for the a-axis dipole is displayed. The bottom axis of Figure 3-4 (b) is numbered according to the vibrational level in the fully permutati ...
Interaction between Atomic Ensembles and Optical
... 2010a,b; Schleier-Smith et al., 2010a,b), spin optomechanics (Brahms & Stamper-Kurn, 2010), preparation of nonclassical atomic states (Mekhov et al., 2007; Mekhov & Ritsch, 2009a,b; Simon et al., 2007a), or cavity-based quantum memories for light (Black et al., 2005b; Simon et al., 2007a,b; Tanji et ...
... 2010a,b; Schleier-Smith et al., 2010a,b), spin optomechanics (Brahms & Stamper-Kurn, 2010), preparation of nonclassical atomic states (Mekhov et al., 2007; Mekhov & Ritsch, 2009a,b; Simon et al., 2007a), or cavity-based quantum memories for light (Black et al., 2005b; Simon et al., 2007a,b; Tanji et ...
Answers - Pearson
... The atomic radii decrease from Na to Cl. This is because the number of inner, shielding, electron is is constant (10) but the nuclear charge increases from +11 to +17. As we go from Na to Cl, the increasing effective nuclear charge pulls the outer electrons closer. ...
... The atomic radii decrease from Na to Cl. This is because the number of inner, shielding, electron is is constant (10) but the nuclear charge increases from +11 to +17. As we go from Na to Cl, the increasing effective nuclear charge pulls the outer electrons closer. ...
Matrix Mechanics and Wave Mechanics - Philsci
... Even the so-called Copenhagen Interpretation of Quantum Mechanics, which has dominated the field since the 1930s, and which stemmed from the new Quantum Mechanics, largely predicated on the alleged equivalence, was debunked by the same rethinking of the history of the debate over the foundations of ...
... Even the so-called Copenhagen Interpretation of Quantum Mechanics, which has dominated the field since the 1930s, and which stemmed from the new Quantum Mechanics, largely predicated on the alleged equivalence, was debunked by the same rethinking of the history of the debate over the foundations of ...
BASIC CONCEPTS OF CHEMISTRY
... For the thermodynamic description of the system, the state functions are used. These are equations that can be uniquely identified by the parameters P, V and T. The values of these functions are independent of the nature of the process, resulting in a system of this state . The functions of the sta ...
... For the thermodynamic description of the system, the state functions are used. These are equations that can be uniquely identified by the parameters P, V and T. The values of these functions are independent of the nature of the process, resulting in a system of this state . The functions of the sta ...
Introduction to Quantum Information Science
... able to properly explain the black-body radiation spectrum. Then Einstein used the quanta idea to explain the photoelectric eect, and Bohr used it with de Broglie's matter wave hypothesis to explain the stability of atoms. A small snowball was set in motion down the mountain of physics leading to t ...
... able to properly explain the black-body radiation spectrum. Then Einstein used the quanta idea to explain the photoelectric eect, and Bohr used it with de Broglie's matter wave hypothesis to explain the stability of atoms. A small snowball was set in motion down the mountain of physics leading to t ...
W. Ketterle
... of the velocity distribution as observed for ballistically expanding clouds of atoms. However, the dominant contribution to the observed momentum distribution of the expanding condensate was the released atomic interaction energy (mean-field energy) resulting in momentum distributions much broader t ...
... of the velocity distribution as observed for ballistically expanding clouds of atoms. However, the dominant contribution to the observed momentum distribution of the expanding condensate was the released atomic interaction energy (mean-field energy) resulting in momentum distributions much broader t ...
electron-proton nonadiabaticity: characterization
... Nuclear quantum effects such as zero-point energy and hydrogen tunneling play an important role in a wide variety of chemical reactions. Moreover, non-Born-Oppenheimer effects are important in reactions such as proton-coupled electron transfer (PCET), which are integral to various electrocatalytic a ...
... Nuclear quantum effects such as zero-point energy and hydrogen tunneling play an important role in a wide variety of chemical reactions. Moreover, non-Born-Oppenheimer effects are important in reactions such as proton-coupled electron transfer (PCET), which are integral to various electrocatalytic a ...
Lecture 06 Slides
... Rules for determining the oxidation number of an element within a compound Step 1: Write the oxidation number of each known atom below the atom in the formula Step 2: Multiply each oxidation number by the number of atoms of that element in the compound Step 3: Assign oxidation numbers for the other ...
... Rules for determining the oxidation number of an element within a compound Step 1: Write the oxidation number of each known atom below the atom in the formula Step 2: Multiply each oxidation number by the number of atoms of that element in the compound Step 3: Assign oxidation numbers for the other ...
Engineering a Robust Quantum Spin Hall State in Graphene via
... coupling is generated nonuniformly in graphene, the stabilization of a QSH phase even in an otherwise ideal situation is unclear a priori. After an extensive search using tight-binding and firstprinciples analyses, we have found that two elements, indium and thallium, are capable of stabilizing a ro ...
... coupling is generated nonuniformly in graphene, the stabilization of a QSH phase even in an otherwise ideal situation is unclear a priori. After an extensive search using tight-binding and firstprinciples analyses, we have found that two elements, indium and thallium, are capable of stabilizing a ro ...
Many-body theory of excitation dynamics in an ultracold Rydberg gas
... emission and reabsorption of photons, is negligible. However, the interaction of the individual atoms with the laser fields has to be treated quantum mechanically. Our approach is based on the observation that, under the conditions of the experiments 关8兴 and 关10兴, the description of the single-atom ...
... emission and reabsorption of photons, is negligible. However, the interaction of the individual atoms with the laser fields has to be treated quantum mechanically. Our approach is based on the observation that, under the conditions of the experiments 关8兴 and 关10兴, the description of the single-atom ...
Electron Fluxes During Chemical Processes - diss.fu
... structures. While these arrows account for changes in the electronic structure from reactant to product, they do not represent the time-dependent electron rearrangement. Such a time-dependent reaction mechanism can be obtained by calculation of an electronic flux density, but for reactions in the el ...
... structures. While these arrows account for changes in the electronic structure from reactant to product, they do not represent the time-dependent electron rearrangement. Such a time-dependent reaction mechanism can be obtained by calculation of an electronic flux density, but for reactions in the el ...
Atomic orbital
An atomic orbital is a mathematical function that describes the wave-like behavior of either one electron or a pair of electrons in an atom. This function can be used to calculate the probability of finding any electron of an atom in any specific region around the atom's nucleus. The term may also refer to the physical region or space where the electron can be calculated to be present, as defined by the particular mathematical form of the orbital.Each orbital in an atom is characterized by a unique set of values of the three quantum numbers n, ℓ, and m, which respectively correspond to the electron's energy, angular momentum, and an angular momentum vector component (the magnetic quantum number). Any orbital can be occupied by a maximum of two electrons, each with its own spin quantum number. The simple names s orbital, p orbital, d orbital and f orbital refer to orbitals with angular momentum quantum number ℓ = 0, 1, 2 and 3 respectively. These names, together with the value of n, are used to describe the electron configurations of atoms. They are derived from the description by early spectroscopists of certain series of alkali metal spectroscopic lines as sharp, principal, diffuse, and fundamental. Orbitals for ℓ > 3 continue alphabetically, omitting j (g, h, i, k, …).Atomic orbitals are the basic building blocks of the atomic orbital model (alternatively known as the electron cloud or wave mechanics model), a modern framework for visualizing the submicroscopic behavior of electrons in matter. In this model the electron cloud of a multi-electron atom may be seen as being built up (in approximation) in an electron configuration that is a product of simpler hydrogen-like atomic orbitals. The repeating periodicity of the blocks of 2, 6, 10, and 14 elements within sections of the periodic table arises naturally from the total number of electrons that occupy a complete set of s, p, d and f atomic orbitals, respectively.