Measurements of the dc electric dipole polarizabilities of the alkali dimer molecules, homonuclear and heteronuclear

Tarnovsky, V.; Bunimovicz, M.; Vušković, L.; Stumpf, B.; Bederson, Benjamin B.

doi:10.1063/1.464017

Cited by 79 publications

(65 citation statements)

References 19 publications

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“…[26], respectively: the difference between these two values corresponds to only about 2 × 10 −6 E h . In any case, the experimental D e value for 7 Li 2 is smaller than that for 6 Li 2 , leading one to expect that the Born-Oppenheimer limit may lie somewhat higher, if anything, than −14.9949 E h . As a matter of fact, Sun et al [25] quote for it a value of −14.9945 E h , citing a personal communication by R. K. Owen and R. N. Barnett.…”

Section: Electronic Structurementioning

confidence: 86%

On the electronic structure of Li2 (X1) and its changes with internuclear distance

Penotti¹

2000

Int. J. Quantum Chem.

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A compact, yet accurate, and strictly virial-compliant ab initio electronic wavefunction for ground-state Li 2 is exploited for a study of the molecule's electronic structure and electron density. Symmetry-breaking problems that emerge at the single-configuration level are solved in a multiconfigurational spin-coupled approach that enables simultaneous optimization of angularly correlated "resonating" configurations. Particular emphasis is placed on the accurate determination of the electron density's bifurcation points and of the quadrupole moment as a function of internuclear distance R. Tentative connections are drawn between the R dependence of the electron density's topological structure and quadrupole moment and that of the electronic wavefunction. Computation of the latter constitutes the first application to systems other than isolated atoms of the optimized basis set generalized multiconfiguration spin-coupled method, which entails use of nonorthogonal orbitals and Slater-type basis functions with variationally optimized exponential parameters.

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Section: Electronic Structurementioning

confidence: 86%

On the electronic structure of Li2 (X1) and its changes with internuclear distance

Penotti¹

2000

Int. J. Quantum Chem.

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“…The static polarizability plays an important role in the charctarization of the clusters and it is one of the property which has been extensively We begin our discussion on the results for polarizabilities by first testing the accuracies of SAOP and MP2 results for dimer and tetramer against the corresponding data obtained with a large basis set coupled cluster theory with single and double excitations and perturbative triple excitation (CCSD(T)) calculations [33]. In Table IV we present the results for polarizabilities of K 2 and K 4 obtained with three different methods along with the other theoretical [31,56] and experimental [18,57] results for the dimer which are already available in literature. From Table IV, we notice that the results for the dimer obtained by CCSD(T) approach vary from 486 to 510 a.u.…”

Section: B Polarizability Of Potassium Clustersmentioning

confidence: 99%

Ab Initio Studies of Properties of Small Potassium Clusters

2008

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We have studied the structure and properties of potassium clusters containing even number of atoms ranging from 2 to 20 at the ab initio level. The geometry optimization calculations are performed using all-electron density functional theory with gradient corrected exchange-correlation functional. Using these optimized geometries we investigate the evolution of binding energy, ionization potential, and static polarizability with the increasing size of the clusters.

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“…The expected value of this shift is given by ∆ν = α 6s − α 6p 3/2 P/(πhε 0 cw 2 0 ), where α 6s and α 6p 3/2 are the electrostatic polarizabilities of atoms in 6s and 6p 3/2 states [18], P is the power of the laser beam and w 0 its waist. Considering an available power of 110 W, we find w 0 = 84±4 µm, leading to an atomic potential depth of 0.9 mK and a molecular one of 1.5 mK, calculated with the Cs 2 static polarizability given in [19]. Considering similar atomic QUEST experiments [16], we assume an atomic trap temperature T ≈ 40 +10 −10 µK.…”

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confidence: 99%

Atom-Molecule Collisions in an Optically Trapped Gas

et al. 2006

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Cold inelastic collisions between confined cesium (Cs) atoms and Cs2 molecules are investigated inside a CO2 laser dipole trap. Inelastic atom-molecule collisions can be observed and measured with a rate coefficient of ∼ 2.5 × 10 −11 cm 3 s −1 , mainly independent of the molecular ro-vibrational state populated. Lifetimes of purely atomic and molecular samples are essentially limited by rest gas collisions. The pure molecular trap lifetime ranges 0,3-1 s, four times smaller than the atomic one, as is also observed in a pure magnetic trap. We give an estimation of the inelastic molecule-molecule collision rate to be ∼ 10 −11 cm 3 s −1 .

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Measurements of the dc electric dipole polarizabilities of the alkali dimer molecules, homonuclear and heteronuclear

Cited by 79 publications

References 19 publications

On the electronic structure of Li2 (X1) and its changes with internuclear distance

On the electronic structure of Li2 (X1) and its changes with internuclear distance

Ab Initio Studies of Properties of Small Potassium Clusters

Atom-Molecule Collisions in an Optically Trapped Gas

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