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Aufsatz
Relativistic effects in physics and chemistry of element 105. [Part] II.
(American Institute of Physics, 1992)
Relativistic self-consistent charge Dirac-Slater discrete variational method calculations have been done for the series of molecules MBr_5, where M = Nb, Ta, Pa, and element 105, Ha. The electronic structure data show that the trends within the group 5 pentabromides resemble those for the corresponding pentaclorides with the latter being more ionic. Estimation of the volatility of group 5 bromides has been done on the basis of the molecular orbital calculations. According to the results of the theoretical interpretation ...
Aufsatz
Electronic structure calculations of small AI_n (n = 2 - 8) clusters
(1992)
The electronic states of small AI_n (n = 2 - 8) clusters have been calculated with a relativistic ab-initio MOLCAO Dirac-Fock-Slater method using numerical atomic DFS wave-functions. The excitation energies were obtained from a ground state calculation of neutral clusters, and in addition from negative clusters charged by half an electron in order to account for part of the relaxation. These energies are compared with experimental photoelectron spectra.
Aufsatz
Relativistic effects in physics and chemistry of element 105. [Part] III.
(American Institute of Physics, 1992)
Electronic structures of MOCl_3 and MOBr_3 molecules, where M = V, Nb, Ta, Pa, and element 105, hahnium, have been calculated using the relativistic Dirac-Slater discrete variational method. The character of bonding has been analyzed using the Mulliken population analysis of the molecular orbitals. It was shown that hahnium oxytrihalides have similar properties to oxytrihalides of Nb and Ta and that hahnium has the highest tendency to form double bond with oxygen. Some peculiarities in the electronic structure of ...
Aufsatz
Femtosecond probing of sodium cluster ion Na_n ^+ fragmentation
(1992)
We report on the first femtosecond time-resolved experiments in cluster physics. The photofragmentation
dynamics of small sodium cluster ions Na_n ^+ have been studied with pump-probe techniques. Ultrashort
laser pulses of 60-fs duration are employed to photoionize the sodium clusters and to probe the
photofragments. We find that the ejection of neutral dimer Na_2 and, observed for the first time, neutral
trimer Na_3 photofragments occur on ultrashort time scales of 2.5 and 0.4 ps, respectively. This and the
absence ...