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 ...
X-Ray Diffraction and Scanning Probe Microscopy
... Making these two modifications again leads to diffraction, as the wavelength and feature spacing are sufficiently close in scale to create observable effects. Thus, when these slides are used to view point sources of light like LEDs or flashlight bulbs, diffraction patterns (optical transforms) that ...
... Making these two modifications again leads to diffraction, as the wavelength and feature spacing are sufficiently close in scale to create observable effects. Thus, when these slides are used to view point sources of light like LEDs or flashlight bulbs, diffraction patterns (optical transforms) that ...
Chapter 5: Gases - HCC Learning Web
... raise the temperature of 22.8 g of Cu from 20.0°C to 875°C. A) 1.97 10–5 J B) 1.0 10–2 J C) 329 J D) 7.51 kJ E) 10.5 kJ Ans: D Category: Medium Section: 6.5 9. Calculate the amount of heat necessary to raise the temperature of 12.0 g of water from 15.4°C to 93.0°C. The specific heat of water = 4 ...
... raise the temperature of 22.8 g of Cu from 20.0°C to 875°C. A) 1.97 10–5 J B) 1.0 10–2 J C) 329 J D) 7.51 kJ E) 10.5 kJ Ans: D Category: Medium Section: 6.5 9. Calculate the amount of heat necessary to raise the temperature of 12.0 g of water from 15.4°C to 93.0°C. The specific heat of water = 4 ...
Final Exam - KFUPM Faculty List
... lone pair in the tetrahedral arrangement. In H2O the tetrahedral angle between the bonds is further compressed to about 104o because of the 2 large lone pairs in the tetrahedral arrangement. Sec# 8-13 Grade# 60 Q22. What is the structure of SF4? A) See-saw B) Tetrahedral C) Square planar D) Trigonal ...
... lone pair in the tetrahedral arrangement. In H2O the tetrahedral angle between the bonds is further compressed to about 104o because of the 2 large lone pairs in the tetrahedral arrangement. Sec# 8-13 Grade# 60 Q22. What is the structure of SF4? A) See-saw B) Tetrahedral C) Square planar D) Trigonal ...
EGAS41
... Interatomic Coulombic decay of the Ne2+ (2s1 2p5 )Ar states populated via the K-LL Auger decay of Ne Ph.V. Demekhin, Y.-C. Chiang, S.D. Stoychev, A.I. Kuleff, F. Tarantelli, P. Kolorenč, L.S. Cederbaum CP 17, p77 New view on the description of the hyperfine structure of free atoms and ions. Case of ...
... Interatomic Coulombic decay of the Ne2+ (2s1 2p5 )Ar states populated via the K-LL Auger decay of Ne Ph.V. Demekhin, Y.-C. Chiang, S.D. Stoychev, A.I. Kuleff, F. Tarantelli, P. Kolorenč, L.S. Cederbaum CP 17, p77 New view on the description of the hyperfine structure of free atoms and ions. Case of ...
Trapping and cooling rubidium atoms for quantum information
... The lure of precise control over the quantum degrees of freedom has attracted scientists for much of the past century. Starting with the invention of Isidor Isaac Rabi [1], who used radio-frequency resonance techniques on atomic and molecular beams in 1938, coherent control became possible. In 1949 ...
... The lure of precise control over the quantum degrees of freedom has attracted scientists for much of the past century. Starting with the invention of Isidor Isaac Rabi [1], who used radio-frequency resonance techniques on atomic and molecular beams in 1938, coherent control became possible. In 1949 ...
Physical Chemistry 2nd Edition
... The minimum number is the number of functions required to hold all the electrons of the atom while still maintaining its overall spherical nature. This simplest representation or minimal basis set involves a single (1s) function for hydrogen and helium. In STO-3G basis set, basis functions is expand ...
... The minimum number is the number of functions required to hold all the electrons of the atom while still maintaining its overall spherical nature. This simplest representation or minimal basis set involves a single (1s) function for hydrogen and helium. In STO-3G basis set, basis functions is expand ...
A controlled quantum system of individual neutral atoms
... manipulating its internal degrees of freedom. More specifically, we couple the ground state hyperfine levels using microwave radiation. We found that the ground states exhibit long coherence times and that the coherence even persists when transporting the atom. These results open the route to using ...
... manipulating its internal degrees of freedom. More specifically, we couple the ground state hyperfine levels using microwave radiation. We found that the ground states exhibit long coherence times and that the coherence even persists when transporting the atom. These results open the route to using ...
Optical trapping of ultracold dysprosium atoms: transition
... [20–29], or in heteronuclear alkali-metal diatomic molecules [30–34]. Some of them have been recently produced in their lowest rovibrational and even hyperfine level, i.e.LiCs [35], KRb [36–38], RbCs [39, 40], NaK [41] and NaRb [42]. Openshell polar molecules such as OH [43], SrF [44], YO [45], RbSr ...
... [20–29], or in heteronuclear alkali-metal diatomic molecules [30–34]. Some of them have been recently produced in their lowest rovibrational and even hyperfine level, i.e.LiCs [35], KRb [36–38], RbCs [39, 40], NaK [41] and NaRb [42]. Openshell polar molecules such as OH [43], SrF [44], YO [45], RbSr ...
Thesis-KM-oct11
... Figure 8: When gas is jet-cooled the rotational energy of individual molecules shifts downwards, thus increasing the probability of excitation from the lower rotational levels compared to that from the higher ones. ................................. 37 Figure 9: The precession of L about the internuc ...
... Figure 8: When gas is jet-cooled the rotational energy of individual molecules shifts downwards, thus increasing the probability of excitation from the lower rotational levels compared to that from the higher ones. ................................. 37 Figure 9: The precession of L about the internuc ...
J. Foot - Atomic Physics
... in atomic physics. It covers the core material and a selection of more advanced topics that illustrate current research in this field. The first six chapters describe the basic principles of atomic structure, starting in Chapter 1 with a review of the classical ideas. Inevitably the discussion of the ...
... in atomic physics. It covers the core material and a selection of more advanced topics that illustrate current research in this field. The first six chapters describe the basic principles of atomic structure, starting in Chapter 1 with a review of the classical ideas. Inevitably the discussion of the ...
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.