BASIS SET SUPERPOSITION ERROR EFFECTS, EXCITED-STATE POTENTIAL ENERGY SURFACE AND
... Summary of the thesis The study of the photophysics of thymine is the main objective of this thesis. This work has been divided in 4 parts; the first two parts are devoted to find a proper level of theory for the study of thymine, whereas in the third and fourth parts the photohpysics of thymine ar ...
... Summary of the thesis The study of the photophysics of thymine is the main objective of this thesis. This work has been divided in 4 parts; the first two parts are devoted to find a proper level of theory for the study of thymine, whereas in the third and fourth parts the photohpysics of thymine ar ...
letter
... In NMR basic form of motion is for magnetization to precess about a magnetic field. Viewed looking down the magnetic field, the tip of the magnetization vector describes a circular path. It turns out that complex exponentials are a very convenient and natural way of describing such motion. Consider ...
... In NMR basic form of motion is for magnetization to precess about a magnetic field. Viewed looking down the magnetic field, the tip of the magnetization vector describes a circular path. It turns out that complex exponentials are a very convenient and natural way of describing such motion. Consider ...
Bragg spectroscopy of quantum gases: Exploring physics in one
... of the laser light producing the lattice. This is a fundamental point, especially concerning the realization of one-dimensional systems, because it makes possible to strictly compare experiment and theory, that is more difficult for the other realizations. The starting point of this adventure was th ...
... of the laser light producing the lattice. This is a fundamental point, especially concerning the realization of one-dimensional systems, because it makes possible to strictly compare experiment and theory, that is more difficult for the other realizations. The starting point of this adventure was th ...
Semiclassical Methods for Many-Body Systems
... system of the next level of complexity. For example we are not good at understanding loosely associated atoms forming a molecule or how the primary structure of a protein results in a folded enzyme. These examples are manifestations of the many body problem. We understand one or two piece quite well ...
... system of the next level of complexity. For example we are not good at understanding loosely associated atoms forming a molecule or how the primary structure of a protein results in a folded enzyme. These examples are manifestations of the many body problem. We understand one or two piece quite well ...
Physical Chemistry 2nd Edition
... The error in bond distances for limiting HartreeFock models calculated frequencies are larger than experimental frequencies. The reason is that the Hartree-Fock model does not dissociate to the proper limit of two radicals as a bond is stretched. ...
... The error in bond distances for limiting HartreeFock models calculated frequencies are larger than experimental frequencies. The reason is that the Hartree-Fock model does not dissociate to the proper limit of two radicals as a bond is stretched. ...
The roles of electronic exchange and correlation in charge
... role of electronic exchange and correlation in both CTTS electronic structure and dynamics. To do this, we perform many-electron mixed quantum/classical molecular dynamics simulations of the ground- and excited-state properties of the aqueous sodium anion 共sodide兲. We treat both of the sodide valenc ...
... role of electronic exchange and correlation in both CTTS electronic structure and dynamics. To do this, we perform many-electron mixed quantum/classical molecular dynamics simulations of the ground- and excited-state properties of the aqueous sodium anion 共sodide兲. We treat both of the sodide valenc ...
Do Neutrino Wave Functions Overlap and Does it Matter?
... without interference among the WPs, the observed flux is a sum over WPs emitted in different directions. As Θ(θ) is normalized, this flux is the same as the particle number flux from a source emitting bullet-like particles. When WPs overlap, formally neutrinos should be described by an anti-symmetri ...
... without interference among the WPs, the observed flux is a sum over WPs emitted in different directions. As Θ(θ) is normalized, this flux is the same as the particle number flux from a source emitting bullet-like particles. When WPs overlap, formally neutrinos should be described by an anti-symmetri ...
Nonequilibrium Dynamical Mean-Field Theory: An
... sites. Still, by taking all possible parameters into account, i.e., allowing, for example, all matrix elements of the matrices to be nonzero (within the constraints imposed by symmetries), this gives eight independent fitting parameters. In ‘‘simple’’ ED, one would have only two in the particle-ho ...
... sites. Still, by taking all possible parameters into account, i.e., allowing, for example, all matrix elements of the matrices to be nonzero (within the constraints imposed by symmetries), this gives eight independent fitting parameters. In ‘‘simple’’ ED, one would have only two in the particle-ho ...
Regular/irregular phase space structure of HCN/HNC
... numerical evidence to support this intermediate case,26 Arnold diffusion 3 guarantees that the chaotic regions of phase space are interconnected in contrast to 2D systems where chaotic regions may be isolated between regular regions. However Nekhoroshev's theorem 27 states that Arnold diffusion in s ...
... numerical evidence to support this intermediate case,26 Arnold diffusion 3 guarantees that the chaotic regions of phase space are interconnected in contrast to 2D systems where chaotic regions may be isolated between regular regions. However Nekhoroshev's theorem 27 states that Arnold diffusion in s ...
Excitation of Rydberg states in rubidium with near infrared diode lasers
... With the application of a small electric field, a dipole-dipole energy exchange between pairs of atoms can be tuned into resonance [1, 2]. This interaction can also lead to a blockade effect, which limits the number of excited Rydberg atoms [3, 4] and can even limit the excitation in a small sample ...
... With the application of a small electric field, a dipole-dipole energy exchange between pairs of atoms can be tuned into resonance [1, 2]. This interaction can also lead to a blockade effect, which limits the number of excited Rydberg atoms [3, 4] and can even limit the excitation in a small sample ...
Probing topology by" heating"
... coefficient η0 ; here ν denotes the Chern number of the populated band and Asyst is the system’s area. This result is in agreement with the intuition that the response of a trivial insulator (ν = 0) to a circular drive should not depend on the latter’s orientation. Interestingly, the quantized respo ...
... coefficient η0 ; here ν denotes the Chern number of the populated band and Asyst is the system’s area. This result is in agreement with the intuition that the response of a trivial insulator (ν = 0) to a circular drive should not depend on the latter’s orientation. Interestingly, the quantized respo ...
