Momentum-space partial-wave Coulomb functionsAn algorithm to calculate non-relativistic partial-wave Coulomb functions in momentum space is presented. The arguments are the Sommerfeld parameter 畏, the angular momentum l, the asymptotic momentum q and the 'running' momentum p, where both momenta are...
In quasicrystalline tilings often multifractal electronic wave functions can be found. In order to obtain a better insight into their localization properties, we study the wave functions of quasiperiodic tilings in momentum space. The models are based on one-dimensional quasiperiodic chains, in which...
Quantum-Mechanical QSAR/QSPR Descriptors from Momentum-Space Wave Functions It is shown that quantum-mechanical descriptors obtained as parameters from the one-dimensional radial distribution function of electron momentum can be us... Errol,F.,McCoy,... - 《Journal of Chemical Information & Modeling...
It is shown that often such images represent nothing else but the visualization of the wave function of the emitted quantum particle in the momentum space. The results of many earlier experiments are reinterpreted with regard to the results obtained in the present work.关键词:...
Momentum-space approach to calculation of one-electron energies and wave functions proposed initially by Fock for a hydrogen atom and considered later by Shibuya, Wulfman, and Koga for diatomic molecules is applied to clusters composed of three and more atoms. The corresponding basis set in the ...
Momentum-space equations of the restricted Hartree-Fock method for quasi-one-dimensional systems are obtained and analyzed in view of direct numerical determination of their solutions. Calculations on the basis of known results on the in... M Defranceschi,J Delhalle - 《Phys Rev B Condens Matte...
This is particularly the case for plane wave basis sets, where the operations can be performed partly in real space (potential energy) and partly in momentum space (kinetic energy). It is thus not surprising that the conjugate gradient and Car–Parrinello methods are mainly associated with ...
(m_V\simeq 2m_P\). In situations near the threshold, it is desirable to treat the decay more rigorously by using wave packets for the initial and final states. Recall that theS-matrix in the plane-wave formalism contains the energy-momentum-conserving delta function and is theoretically ill...
In most cases we give the spectral analysis for these bases, and a number of new bases are developed in detail. Many of the special function identities derived appear to be new. This preliminary study is of importance when we subsequently study models of the Hilbert space structure for ...
Here we demonstrate attosecond coherent manipulation of a free-electron wave function, and show that it can be pushed down to the zeptosecond regime. We make a relativistic single-electron wavepacket interact in free-space with a semi-infinite light field generated by two light pulses reflected ...