Related papers: Configuration interaction calculation for the isot…
In 1987, Liechtenstein et al. came up with the idea to formulate the problem of interatomic exchange interactions, which would describe the energy change caused by the infinitesimal rotations of spins, in terms of the magnetic…
Atomic microwave clocks based on hyperfine transitions, such as the caesium standard, tick with a frequency that is proportional to the magnetic moment of the nucleus. This magnetic moment varies strongly between isotopes of the same atom,…
The analysis results of the isotopic yields for products obtained in reactions of protons at energies 0.66, 1, 8.1GeV with separated tin isotopes are presented. The experimental data are compared in form of reactions of element cross…
We present a grid-based implementation of the time-dependent configuration-interaction singles method suitable for computing the strong-field ionization of small gas-phase molecules. After outlining the general equations of motion used in…
It is demonstrated that the reaction path for a polyatomic molecule (applied to the HCO molecule) is easily calculated via ab-initio configuration interaction (CI) total energies. This Hamiltonian not only reproduces the CI calculations…
Accurate solution of the many-electron problem including correlations remains intractable except for few-electron systems. Describing interacting electrons as a superposition of independent electron configurations results in an apparent…
Transition rates for coherent muon-electron conversion in muonic atoms, mu+N --> e+N, are computed for various types of muon number violating interactions. Attention is paid to relativistic atomic effects, Coulomb distortion, finite nuclear…
We investigate the prospects of controlling charge-exchange in ultracold collisions of heteroisotopic combinations of atoms and ions of the same element. The treatment, readily applicable to alkali or alkanine-earth metals, is illustrated…
Detection of high-redshift absorption in the optical spectra of quasars have provided a powerful tool to measure spatial and temporal variations of physical ``constants'' in the Universe. It is demonstrated that high sensitivity to the…
Theoretical studies on chemical reaction mechanisms have been crucial in organic chemistry. Traditionally, calculating the manually constructed molecular conformations of transition states for chemical reactions using quantum chemical…
We evaluate the feasibility of using magnetic-dipole (M1) transitions in highly-charged ions as a basis of an optical atomic clockwork of exceptional accuracy. We consider a range of possibilities, including M1 transitions between clock…
We derive an expression for the magnetic blackbody shift of hyperfine transitions such as the cesium primary reference transition which defines the second. The shift is found to be a complicated function of temperature, and has a T^2…
Detailed quantum chemistry calculations within the multireference configuration interaction approximation with the Davidson correction (MRCI+Q) are presented using an aug-cc-pV6Z basis set, for the potential energy curves and transition…
We perform relativistic configuration-interaction calculations of the energy levels of the low-lying and core-excited states of beryllium-like iron, Fe$^{22+}$. The results include the QED contributions calculated by two different methods,…
We critically reexamine the problem of interatomic exchange interactions, which describe the total energy change caused by infinitesimal rotations of spins near some equilibrium state. For the small variations, such interactions can be…
We employ a kinetic-exchange tight-binding model to calculate the magnetic interaction and anisotropy energies of a pair of substitutional Mn atoms in GaAs as a function of their separation distance and direction. We find that the most…
Isotope shift of atomic spectra is considered as a probe of new interaction between electrons and neutrons in atoms. We employ the method of seeking a breakdown of King's linearity in the isotope shifts of two atomic transitions. In the…
Accurate quantum mechanics based predictions of property trends are so important for materials design and discovery that even inexpensive approximate methods are valuable. We use the Alchemical Integral Transform (AIT) to study…
We use quantum scattering methods to calculate the light-induced collisional loss of laser-cooled and trapped magnesium atoms for detunings up to 30 atomic linewidths to the red of the 1S_0-1P_1 cooling transition. Magnesium has no…
We use an atomic fountain clock to measure quantum scattering phase shifts precisely through a series of narrow, low-field Feshbach resonances at average collision energies below $1\,\mu$K. Our low spread in collision energy yields phase…