Ground state electron configuration is the distribution of an atom's electrons when all of its electrons are in their typical orbitals, and the atom is not excited. In contrast, the excited state electron configuration shows how electrons are distributed arou...
Ground state and excited state properties of ethylene, C2H4, and several ethylene isomers have been studied by Feynman path integral Monte Carlo (PIMC) simulations. The PIMC treatment of the atomic nuclei has been combined with different electronic Hamiltonians in order to analyse the influence of ...
The first excited state is the a??+ state, which derives from the 3d??Cu5d??Au???*? molecular configuration. This state possesses nominal bond order of zero, but is nevertheless bound by Do = 1157?150c m-? and has a bond length of 2.428 ? 0.028 ?. It is observed through the a...
An ab initio CI study of the ground and excited states of p -quinodimethane 来自 国家科技图书文献中心 喜欢 0 阅读量: 37 作者: TK Ha 摘要: Configuration interaction (CI) studies of the ground, electronically excited singlet and triplet states and of the ionized states (cations) are ...
Near-UV excited-state absorption spectra obtained with a pulsed pump–probe technique were recorded in LiYF4:Pr3+ at 77 and at 8 K and revealed a detailed structure of the 4f2 1D2→4f5d and 4f2 (3P0+1I6)→4f5d optical transitions. These experimental results, together with those previ...
A comparative analysis of the broad bands of the ground- and excited-state absorption spectra of d3-impurity ions iscarried out in a point-ion crystal field theory model. It is found that for d3 electrons in the cubic field (d7 in tetrahedral field) a similarity of these bands should be...
Configuration interaction (CI) studies of the ground, electronically excited singlet and triplet states and of the ionized states (cations) are reported for p- quinodimethane (p-xylylene). The calculated ionization potentials are compared with the experimental photoelectron spectrum for the low-energy...
We consider the ground state and the collective excitations of dipolar Bose-Einstein condensates in a bubble trap, i.e., a shell-shaped spherically symmetric confining potential. By means of an appropriate Gaussian ansatz, we determine the ground-state properties in the case where the particles in...
excited stateground stateatomisotropic atomsexcited configurationlong-range retarded resonance interactionThe nature of the resonance interaction between two isotropic atoms in an excited configuration is reinvestigated. The currently accepted oscillatory form for the long-range retarded resonance interaction is...
The sextet ground state, possessing the 11σ1 4π1x 4π1y 1δ1x2−y2 1δ 1xy configuration, is found to be linear. However, bending the VCO angle by 10° raises its total energy by only 0.025 eV. This indicates that the shape of the matrix-isolated VCO might be influenced by ...