Introduction: The 2p x-ray absorption spectrum of NiO
... range of dedicated computer codes exist to calculate the x-ray absorption cross section. The review of John Rehr in this issue deals with the latest developments in the single electron codes using multiple scattering 1,2. Cabaret and coworkers describe the new developments in band structure codes an ...
... range of dedicated computer codes exist to calculate the x-ray absorption cross section. The review of John Rehr in this issue deals with the latest developments in the single electron codes using multiple scattering 1,2. Cabaret and coworkers describe the new developments in band structure codes an ...
Recrystallization: A Purification Technique
... of four reaction tubes, 50 mg of product was added to 0.5 mL of the different solvents. These solvents included water, ethanol, dichloromethane, and hexanes. Solvents that dissolved the solid easily at room temperature were eliminated as a suitable solvent for recrystallization. Ethanol dissolved th ...
... of four reaction tubes, 50 mg of product was added to 0.5 mL of the different solvents. These solvents included water, ethanol, dichloromethane, and hexanes. Solvents that dissolved the solid easily at room temperature were eliminated as a suitable solvent for recrystallization. Ethanol dissolved th ...
Dynamics of electron solvation in I (CH3OH)n
... weakly-bound surface states with surface methyl groups oriented toward the excess electron, similar to the isomer II structure inferred from our photoelectron spectra.36 With better knowledge of the initial and final states, we reexamine here the dynamics of I− (CH3 OH)n following CTTS excitation wi ...
... weakly-bound surface states with surface methyl groups oriented toward the excess electron, similar to the isomer II structure inferred from our photoelectron spectra.36 With better knowledge of the initial and final states, we reexamine here the dynamics of I− (CH3 OH)n following CTTS excitation wi ...
Functional Form of the Imaginary Part of the Atomic Polarizability
... many cases, the imaginary part of an energy shift describes a decay process, with the spontaneous emission of radiation quanta. If one includes the energy of the emitted quanta into the energy balance, one sees that the final quantum state of the decay process actually has the same same energy as th ...
... many cases, the imaginary part of an energy shift describes a decay process, with the spontaneous emission of radiation quanta. If one includes the energy of the emitted quanta into the energy balance, one sees that the final quantum state of the decay process actually has the same same energy as th ...
Adding quantum effects to the semi-classical molecular
... been widely implemented for treating condensed phase systems and bio-molecules. Conventional MD is based on two critical approximations: Born-Oppenheimer (BO) separation of electronic and nuclei motion, and classical EOM governing the dynamics of nuclei. For certain chemical reactions involving pola ...
... been widely implemented for treating condensed phase systems and bio-molecules. Conventional MD is based on two critical approximations: Born-Oppenheimer (BO) separation of electronic and nuclei motion, and classical EOM governing the dynamics of nuclei. For certain chemical reactions involving pola ...
Thermodynamics of Ion Association in the Saturated Solution of
... from solubility and the mean activity coefficient values obtained at 298.15K. The solubility of solutes in mixed solvents depends primarily on the solvation of the solutes or their constituent ions by the components of the solvent mixtures. In this study, the solubility of this barium diphenylamine ...
... from solubility and the mean activity coefficient values obtained at 298.15K. The solubility of solutes in mixed solvents depends primarily on the solvation of the solutes or their constituent ions by the components of the solvent mixtures. In this study, the solubility of this barium diphenylamine ...
New Journal of Physics - Quantum Optics and Spectroscopy
... Bloch vector initially centered at the south pole of the Bloch sphere performs oscillations that are symmetric around the initial position. (b) For ζ = π/2, the gate starts at the minimum of the intensity modulation. In this case, the average orientation of the Bloch vector is tilted with respect to ...
... Bloch vector initially centered at the south pole of the Bloch sphere performs oscillations that are symmetric around the initial position. (b) For ζ = π/2, the gate starts at the minimum of the intensity modulation. In this case, the average orientation of the Bloch vector is tilted with respect to ...
Amplitude spectroscopy of two coupled qubits
... 50). In these works the basic parameters of qubits and coupling constants have been measured, and also some relaxation characteristics of coupled qubits have been studied. Rabi spectroscopy of two coupled qubits both experimentally and theoretically have been investigated in publications.44,45,47,49 ...
... 50). In these works the basic parameters of qubits and coupling constants have been measured, and also some relaxation characteristics of coupled qubits have been studied. Rabi spectroscopy of two coupled qubits both experimentally and theoretically have been investigated in publications.44,45,47,49 ...
Density Functional Theory Studies of Small Supported Gold Clusters
... summarized in his book A New System Of Chemical Philosophy published in 1808. He assumed that each element consists of indivisible and identical atoms of a certain weight. During chemical reactions, atoms simply change the way they are grouped together. This is called the law of multiple proportions ...
... summarized in his book A New System Of Chemical Philosophy published in 1808. He assumed that each element consists of indivisible and identical atoms of a certain weight. During chemical reactions, atoms simply change the way they are grouped together. This is called the law of multiple proportions ...
Multiphoton population transfer in a kicked Rydberg atom: adiabatic rapid
... laid out by the microwave-driven case. In both cases, the -distributions are confined to odd- only because the interaction Hamiltonian mixes each with ± 1 and the initial state is a p-state. We also considered a case where the E jump caused by the transition is larger than that in figure 1. I ...
... laid out by the microwave-driven case. In both cases, the -distributions are confined to odd- only because the interaction Hamiltonian mixes each with ± 1 and the initial state is a p-state. We also considered a case where the E jump caused by the transition is larger than that in figure 1. I ...
"Positron-impact ionization, positronium formation, and electronic excitation cross sections for diatomic molecules" Phys. Rev. A 72 (2005), 062713. J. P. Marler and C.M. Surko (PDF)
... orbits are strongly magnetized 关9,10兴. In a strong magnetic field, namely, where the positron’s gyroradius is small compared to the characteristic dimensions of the scattering apparatus 共but still large compared to atomic dimensions兲, the total kinetic energy is separable into two components: energy ...
... orbits are strongly magnetized 关9,10兴. In a strong magnetic field, namely, where the positron’s gyroradius is small compared to the characteristic dimensions of the scattering apparatus 共but still large compared to atomic dimensions兲, the total kinetic energy is separable into two components: energy ...
He–ThO(1Σ+) Interactions at Low Temperatures: Elastic and
... He + 232 Th16 O isotope combination. This choice also simplifies bound-state and scattering calculations, since all of the isotopes have zero nuclear spins. To calculate the rovibrational energy levels of the He–ThO complex, we used the two-dimensional Hamiltonian defined by Eq. (7) in a bodyfixed c ...
... He + 232 Th16 O isotope combination. This choice also simplifies bound-state and scattering calculations, since all of the isotopes have zero nuclear spins. To calculate the rovibrational energy levels of the He–ThO complex, we used the two-dimensional Hamiltonian defined by Eq. (7) in a bodyfixed c ...
Franck–Condon principle
The Franck–Condon principle is a rule in spectroscopy and quantum chemistry that explains the intensity of vibronic transitions. Vibronic transitions are the simultaneous changes in electronic and vibrational energy levels of a molecule due to the absorption or emission of a photon of the appropriate energy. The principle states that during an electronic transition, a change from one vibrational energy level to another will be more likely to happen if the two vibrational wave functions overlap more significantly.