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... structures, considered along with notions of electron repulsion and electron spin correlation allow the properties of molecules with odd numbers of electrons to be rationalized more clearly. Harcourt, inspired by Linnett’s approach, has shown further equivalence between VB and MO treatments of the t ...
... structures, considered along with notions of electron repulsion and electron spin correlation allow the properties of molecules with odd numbers of electrons to be rationalized more clearly. Harcourt, inspired by Linnett’s approach, has shown further equivalence between VB and MO treatments of the t ...
Semiclassical approximations in wave mechanics
... Abstract. We review various methods of deriving expressions for quantummechanical quantities in the limit when tL is small (in comparison with the relevant classical action functions). T o start with we treat one-dimensional problems and discuss the derivation of WKB connection formulae (and their r ...
... Abstract. We review various methods of deriving expressions for quantummechanical quantities in the limit when tL is small (in comparison with the relevant classical action functions). T o start with we treat one-dimensional problems and discuss the derivation of WKB connection formulae (and their r ...
Constraint Effective Potential of the Magnetization - Uwe
... This means that S 3 is a conserved quantity and the XY model has a global U (1) ~ 6= 0 breaks the symmetry spin symmetry. An applied external magnetic field B globally from U (1) to {1}, the trivial group containing only the identity. The system has translation symmetries in x and y direction caused ...
... This means that S 3 is a conserved quantity and the XY model has a global U (1) ~ 6= 0 breaks the symmetry spin symmetry. An applied external magnetic field B globally from U (1) to {1}, the trivial group containing only the identity. The system has translation symmetries in x and y direction caused ...
Carbon–carbon bond cleavage in the photoionization of ethanol and
... All ab initio calculations were done with the GAUSSIAN program. The geometry optimization and vibrational frequencies of the reactants and products were calculated by using Becke3LYP level with 6-31⫹G* . To establish a more reliable energy results, single point calculations were performed at the B3L ...
... All ab initio calculations were done with the GAUSSIAN program. The geometry optimization and vibrational frequencies of the reactants and products were calculated by using Becke3LYP level with 6-31⫹G* . To establish a more reliable energy results, single point calculations were performed at the B3L ...
Observing Atomic Collapse Resonances in Artificial Nuclei on
... Our data suggests that clusters with just one or two Ca dimers are in the subcritical regime, and so Z/Zc here is determined by matching the amplitude of the electron-hole asymmetry between simulation and experiment according to the method described in ref. (14). Our clusters comprised of 3 or more ...
... Our data suggests that clusters with just one or two Ca dimers are in the subcritical regime, and so Z/Zc here is determined by matching the amplitude of the electron-hole asymmetry between simulation and experiment according to the method described in ref. (14). Our clusters comprised of 3 or more ...
Quantum Numbers and the Eigenfunction Approach to Obtain
... equations are invariant under a coordinate transformation [5]. Hence once the transformations that commute with the Hamiltonian are identified, a complete set of commuting operators (CSCO) is set up using the invariant operators of the symmetry group of the system. In this form, the simultaneous dia ...
... equations are invariant under a coordinate transformation [5]. Hence once the transformations that commute with the Hamiltonian are identified, a complete set of commuting operators (CSCO) is set up using the invariant operators of the symmetry group of the system. In this form, the simultaneous dia ...
