Search results for "PERTURBATION"

Quasirelativistic transition property calculations by the intermediate Hamiltonian method: Electronic transition dipole moments and radiative lifetim…

2001

We present a quasirelativistic method of ab initio calculations on molecular excited states and electronic transition moments within the relativistic effective potential approximation, based on the construction of intermediate Hamiltonians and spin-free one-particle transition density matrices by means of the many-body multipartitioning perturbation theory. The method is applied to describe the electronic transitions involved in the radiative decay of the ${A0}_{u}^{+},$ ${B0}_{u}^{+},$ and ${B1}_{u}$ states of ${\mathrm{Te}}_{2}.$ Good agreement of the computed transition dipole moment functions with their empirical counterparts is achieved. Theoretical radiative lifetime estimates for sev…

Quasi-resonant energy transfer in collisions: Na2(A1? u + )+K(4S)

1994

Cross sections for electron energy transfer from the initial rotational stateJ′of the two lowest vibrational levelsv′=0 andv′=1 of excited dimers Na2(A) to potassium atoms as described by Na2(A1Σu+,v′J′)+K(4S)→Na2 (X1Σg+,v″J″)+K(4P)+ΔE have been examined by laser-induced fluorescence. A strong increase of the cross section by as much as an order of magnitude has been observed for those dimerv′J′-levels for which the dipole transitions are close to resonance of the 4S-4P transitions in the atom (ΔE<4 cm−1). The absolute cross sections for energy transfer have been calculated by the Rabitz approximation of first-order perturbation theory. In the case of closest energy resonance (ΔE=0.9 cm−1) …

Experimental and theoretical study of thenf-level lifetimes of potassium

2008

The theoretical and experimental values of the 5f ,6 f ,7 f, and 8f radiative lifetimes of neutral potassium are reported. The reduced matrix elements for all allowed electric-dipole nf5/2-nd5/2, nf5/2-nd3/2, and nf7/2-nd5/2 transitions with n =5–8 in K arecalculated using the relativistic linearized coupled-cluster method with single and double excitations of Dirac-Fock wave functions included to all orders in many-body perturbation theory. The resulting electric-dipole matrix elements are used to evaluate the lifetimes of the 5f ,6 f ,7 f, and 8f states in neutral K and their uncertainties. The contributions from the nf5/2-ng7/2, nf7/2-ng7/2, and nf7/2-ng9/2 transitions to the lifetimes o…

Finite perturbation calculations for the static dipole polarizabilities of the first-row atoms

1976

Static dipole polarizabilities are calculated from self-consistent-field and highly correlated wave functions for the ground states of the atoms Li through Ne. The correlation contributions to the polarizabilities are found to vary between -16% for Be and + 14% for F. The polarizabilities as obtained from the coupled-electron-pair approximation are expected to be accurate to about 2%.

Residual fluctuations in the microwave background at large angular scales: Revision of the Sachs-Wolfe effect

1993

In this paper we revise the Sachs-Wolfe (SW) computation of large-scale an isotropies of the microwave background temperature, taking into account the properties of the metrics admitting an isotropic distribution of collisionless photons. We show that the metric used by SW belongs to the aforementioned class, and conclude that the microwave background (once the dipolar anisotropy has been subtracted) should now be isotropic at large angular scales, provided that it was isotropic on the last scattering surface and assuming that the growing mode of a pressureless Einstein-de Sitter perturbation is a good description of the metric.

Energy and radiative properties of the low-lying NaRb states

2001

D 1 P ‐B 1 P transition dipole moments, as well as nonadiabatic L-uncoupling matrix elements between the examined 1 P and four lowest 1 S 1 states for both 23 Na 85 Rb and 23 Na 87 Rb isotopomers. The relevant MPPT ab initio matrix elements and energy curves were converted by means of the approximate sum rule to radiative lifetimes and L-doubling constants ( q factors! for the particular rovibronic levels of the B 1 P and D 1 P states. The theoretical lifetimes agree well with their experimental counterparts for both B 1 P and D 1 P states. The q factor estimates obtained in the singlet-singlet approximation are in good agreement with the experimental ones for the D 1 P(1<v8<12;7<J8<50) lev…

Finite perturbation calculation for the static dipole polarizabilities of the atoms Na through Ca

1976

Calculation of atomic spectra and transition amplitudes for superheavy element Db (Z=105)

2018

Atomic spectra and other properties of superheavy element dubnium (Db, $Z=105$) are calculated using recently developed method combining configuration interaction with perturbation theory [the CIPT method, V. A. Dzuba, J. C. Berengut, C. Harabati, and V. V. Flambaum, Phys. Rev. A 95, 012503 (2017)]. These include energy levels for low-lying states of Db and Db II, electric dipole transition amplitudes between the ground state and low-lying states of opposite parity, isotope shift for these transitions, and the ionization potential of Db. Similar calculations for Ta, which is a lighter analog of Db, are performed to control the accuracy of the calculations.

Permanent electric dipoles andΛ-doubling constants in the lowestΠ1states of RbCs

2005

The article presents first experimental data on the Stark induced $e\text{\ensuremath{-}}f$ mixing in the $(4)\phantom{\rule{0.2em}{0ex}}^{1}\ensuremath{\Pi}$ state of the $^{85}\mathrm{Rb}^{133}\mathrm{Cs}$ molecule, as well as the ab initio calculations of permanent electric dipole moments $(d)$ in the $(1,2,3,4)\phantom{\rule{0.2em}{0ex}}^{1}\ensuremath{\Pi}$ states and $q$ factors in the $(2,4)\phantom{\rule{0.2em}{0ex}}^{1}\ensuremath{\Pi}$ states. The appearance of the ``forbidden'' lines in the laser-induced $(4)\phantom{\rule{0.2em}{0ex}}^{1}\ensuremath{\Pi}\ensuremath{\rightarrow}X\phantom{\rule{0.2em}{0ex}}^{1}\ensuremath{\Pi}^{+}$ fluorescence spectrum in the presence of an elect…

Perturbative treatment of the electron-correlation contribution to the diagonal Born-Oppenheimer correction.

2007

A perturbative scheme for the treatment of electron-correlation effects on the diagonal Born-Oppenheimer correction (DBOC) is suggested. Utilizing the usual Moller-Plesset partitioning of the Hamiltonian formulas for first and second orders (termed as MP1 and MP2) are obtained by expanding the wave function in the corresponding coupled-cluster expressions for the DBOC[J. Gauss et al., J. Chem. Phys. 125, 144111 (2006)]. The obtained expressions are recast in terms of one- and two-particle density matrices in order to take advantage of existing analytic second-derivative implementations for many-body methods. Test calculations show that both MP1 and MP2 recover large fractions (on average 90…