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Browsing Physics by Author "Bubin, Sergiy"
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Stanke, Monika; Kedziera, Dariusz; Bubin, Sergiy; Adamowicz, Ludwik
(2007)
Explicitly correlated Gaussian functions have been used to perform very accurate variational
calculations for the ground states of 7Li and 7Li−. The nuclear motion has been explicitly included
in the calculations i.e., ...
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Bubin, Sergiy; Varga, Ka´ lma´n
(2011)
In the framework of real time real space time-dependent density functional theory we have studied the electron-ion dynamics of a hydrogen-terminated silicon surface H-Si(111) subjected to intense laser irradiation. Two ...
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Bubin, Sergiy; Adamowicz, Ludwik
(2008)
In this work we consider explicitly correlated complex Gaussian basis functions for expanding the wave function of an N-particle system with the L=1 total orbital angular momentum. We derive analytical expressions for ...
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Bubin, Sergiy; Prezhdo, Oleg V.
(2013)
Using a variational method with an explicitly correlated Gaussian basis, we study the eþ-Li and eþ-Be
complexes in the ground and lowest excited states with higher spin multiplicity. Our calculations provide
rigorous ...
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Bubin, Sergiy; Adamowicz, Ludwik
(2012)
Accurate quantum-mechanical nonrelativistic variational calculations are performed for the nine lowest members of the 2Po Rydberg series (1s2np1, n = 2, . . . , 10) of the lithium atom. The effect of the finite nuclear ...
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Driscoll, Joseph A.; Cook, Brandon; Bubin, Sergiy; Varga, Kalman
(2011)
A real-space, real-time implementation of time-dependent density functional theory is used to study
electron field emission from nanostructures. Carbon nanotubes and graphene nanoribbons are used as
model systems. The ...
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Bubin, Sergiy; Varga, Kálmán
(2011)
The dynamics of hydrogen desorption from H-terminated silicon surface clusters has been simulated in the framework of real space time-dependent density functional theory complemented with molecular dynamics for ions. It ...
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Stanke, Monika; Komasa, Jacek; Bubin, Sergiy; Adamowicz, Ludwik
(2009)
We have performed very accurate quantum mechanical calculations of the five lowest S states of the
beryllium atom. In the nonrelativistic part of the calculations we used the variational method and we explicitly
included ...
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Stanke, Monika; Bubin, Sergiy; Adamowicz, Ludwik
(2009)
Very accurate variational calculations of the fundamental pure vibrational transitions of the 3He 4He+ and
7LiH+ ions are performed within the framework that does not assume the Born-Oppenheimer BO approximation.
The ...
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Bubin, Sergiy; Varga, Kalman
(2011)
Variational calculations of the ground state of positronium hydride (HPs) are reported, including various expectation values, electron-positron annihilation rates, and leading relativistic corrections to the total and ...
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Bubin, Sergiy; Stanke, Monika; Ke¸dziera, Dariusz; Adamowicz, Ludwik
(2007)
More accurate variational calculations of the lowest three pure vibrational states v=0,1,2 of the 4HeH+ molecular ion have been carried out without assuming the Born-Oppenheimer approximation. In the calculations we ...
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Bubin, Sergiy; Prezhdo, Oleg V., K´alm´an Varga
(2013)
The stability of tripositronium, a system consisting of three electrons and three positrons, has been investigated
systematically by varying the repulsion strength between like-charged particles. The possibility of the ...
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Bubin, Sergiy; Russakoff, A.G.; Varga, K.
(2013)
In the framework of real-time real-space time-dependent density functional theory complemented with Ehrenfest molecular dynamics we have studied the response of
nanostructures to intense femtosecond laser pulses. Examples ...
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Stanke, Monika; Ke¸dziera, Dariusz; Bubin, Sergiy; Adamowicz, Ludwik
(2007)
Variational calculations employing explicitly correlated Gaussian functions have been performed for the
ground states of 9Be and 9Be+ including the nuclear motion i.e., without assuming the Born-Oppenheimer
BO ...
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Bubin, Sergiy; Komasa, Jacek; Stanke, Monika; Adamowicz, Ludwik
(2009)
Very accurate electron affinity EA calculations of 6Li and 7Li and Li have been performed using explicitly correlated Gaussian functions and a variational approach that explicitly includes the nuclear motion in the ...
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Bubin, Sergiy; Komasa, Jasek; Stanke, Monika; Adamowicz, Ludwik
(2010)
Highly accurate quantum mechanical calculations are performed for the 1s22s2 (1S0)→1s22p2 (1S0) transition energy in the isotopomers of C2+ ion to determine the isotope shifts. Explicitly correlated Gaussian functions and ...
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Bubin, Sergiy; Komasa, Jasek; Stanke, Monika; Adamowicz, Ludwik
(2010)
We present very accurate quantum mechanical calculations of the three lowest S-states 1s22s2 1S0 , 1s22p2 1S0 , and 1s22s3s 1S0 of the two stable isotopes of the boron ion, 10B+ and 11B+. At the nonrelativistic level ...
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Driscoll, Joseph A.; Bubin, Sergiy; Varga, Kalman
(2011)
Time-dependent density functional theory simulation of laser-induced ionization is presented. Various test
systems including a small wire-like molecule, C12H14, as well as carbon nanotubes with varying diameter are
studied. ...
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Sharkey, Keeper L.; Bubin, Sergiy; Adamowicz, Ludwik
(2011)
Very accurate variational nonrelativistic calculations are performed for the five lowest Rydberg 2D states
(1s2nd1, n = 3, . . . ,7) of the lithium atom (7Li). The finite-nuclear-mass approach is employed and the ...
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Bubin, Sergiy; Adamowicz, Ludwik
(PHYSICAL REVIEW LETTERS, 2017-01)
A theoretical ab initio approach for calculating bound states of small atoms is developed and implemented.
The approach is based on finite-nuclear-mass [non-Born-Oppenheimer (non-BO)] nonrelativistic variational
calculations ...