Calculation of the Rydberg Energy Levels for Francium Atom

Huang Shizhong; Sun Qiufeng
January 2010
Physics Research International;2010, p1
Academic Journal
Based on the weakest bound electron potential model theory, the Rydberg energy levels and quantum defects of ns2S1/2(n = 8-50), nd2D3/2(n = 6-50), and nd2D5/2(n = 6-50) spectrumseries for franciumatomare calculated. The calculated results are in excellent agreement with the 74 known experimentally measured levels (the absolute difference is less than 0.03 cm-1) and 58 energy levels for highly excited states are predicted.


Related Articles

  • Electronic structure and spectra of NH-isomers of isobacteriochlorin. Volkovich, D. I.; Kuz'mitskii, V. A.; Solov'ev, K. N. // Journal of Applied Spectroscopy;Mar2006, Vol. 73 Issue 2, p259 

    Using the restricted and unrestricted Hartree-Fock method (RHF and UHF) with the AM1 Hamiltonian, we have calculated the geometric structure of the NH-isomers of isobacteriochlorin and its meso-cyano derivative. We have used the CNDO/S method for all the considered structures to calculate the...

  • The localized Hartree—Fock method for a self-interaction free Kohn—Sham potential: applications to closed and open-shell molecules. Sala, Fabio Della // Theoretical Chemistry Accounts: Theory, Computation, & Modeling;Jun2007, Vol. 117 Issue 5/6, p981 

    The localized Hartree–Fock and the open-shell LHF (OSLHF) approaches are reviewed and rederived under a unique formalism. Three different treatments of the OSLHF correction term are discussed and results for excitation energies are presented for small- and medium-size closed- and...

  • Prediction of electron paramagnetic resonance g values using coupled perturbed Hartree–Fock and Kohn–Sham theory. Neese, Frank // Journal of Chemical Physics;12/22/2001, Vol. 115 Issue 24, p11080 

    A method for calculating the EPR g-tensor based on coupled perturbed Hartree-Fock (HF) and density functional theory (DFT) is presented. The one-electron molecular orbitals of a spin-unrestricted Slater determinant are calculated up to first order in the applied magnetic field. The g-tensor is...

  • The local ansatz extended. Stollhoff, Gernot // Journal of Chemical Physics;7/1/1996, Vol. 105 Issue 1, p227 

    The local ansatz allows to perform correlation calculations for all electronic systems that can be computed in Hartree–Fock approximation, including metals. It distinguishes from standard quantum chemistry schemes in a sizable and physically motivated reduction of the excitation space. So...

  • Quantum Chemistry for Large Molecules: Linear-Scaling Mean-Field and Correlated Approaches. Ochsenfeld, Christian // AIP Conference Proceedings;3/19/2009, Vol. 1108 Issue 1, p151 

    A brief review of our work to attain linear scaling computational effort for Hartree-Fock (HF), Density-Functional Theory (DFT), and second-order Mo\ller-Plesset perturbation theory (MP2) is presented. While we describe linear-scaling methods for calculating molecular response properties of...

  • Optical response and electronic structure of Zn-doped MgAl2O4. Izumi, K.; Mizokawa, T.; Hanamura, E. // Journal of Applied Physics;9/1/2007, Vol. 102 Issue 5, p053109 

    We have studied the optical response and the electronic structure of Zn-doped MgAl2O4 using optical transmission, emission, and excitation spectroscopies, x-ray photoemission spectroscopy, and unrestricted Hartree-Fock calculation. Emission lines at 710, 650, and 470 nm observed in pure MgAl2O4...

  • Hybrid exchange-correlation functional for core, valence, and Rydberg excitations: Core-valence-Rydberg B3LYP. Nakata, Ayako; Imamura, Yutaka; Nakai, Hiromi // Journal of Chemical Physics;8/14/2006, Vol. 125 Issue 6, p064109 

    The core-valence-Rydberg Becke’s three-parameter exchange (B3)+Lee-Yang-Parr (LYP) correlation functional (CVR-B3LYP) is proposed as a means to improve descriptions of Rydberg excitations of core-valence B3LYP (CV-B3LYP). CV-B3LYP describes excitations from both core and occupied valence...

  • Communication: Application of state-specific multireference coupled cluster methods to core-level excitations. Brabec, Jirˇí; Bhaskaran-Nair, Kiran; Govind, Niranjan; Pittner, Jirˇí; Kowalski, Karol // Journal of Chemical Physics;11/7/2012, Vol. 137 Issue 17, p171101 

    The concept of the model space underlying multireference coupled-cluster (MRCC) formulations is a powerful tool to deal with complex correlation effects for various electronic states. Here, we demonstrate that iterative state-specific MRCC methods (SS-MRCC) based on properly defined model spaces...

  • Electron spin waves of the surface of a nanotube. Ermolaev, A.; Rashba, G.; Solyanik, M. // Physics of the Solid State;Aug2011, Vol. 53 Issue 8, p1594 

    The spin-wave spectrum of a non-ferromagnetic electron gas on the surface of a nanotube in a magnetic field has been considered. The electron-electron interaction has been taken into account in the Hartree-Fock approximation. The dynamic spin susceptibility tensor of the electron gas has been...


Read the Article


Sorry, but this item is not currently available from your library.

Try another library?
Sign out of this library

Other Topics