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Browsing Physics by Author "Bubin, Sergiy"
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Stanke, Monika; Kedziera, Dariusz; Bubin, Sergiy; Adamowicz, Ludwik
(2007)
Variational calculations employing explicitly correlated Gaussian functions and explicitly including the
nuclear motion [i.e., without assuming the Born-Oppenheimer (BO) approximation] have been performed
to determine ...
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Stanke, Monika; Ke¸dziera, Dariusz; Bubin, Sergiy; Molski, Marcin; Adamowicz, Ludwik
(2007)
Very accurate quantum mechanical calculations of the first five vibrational states of the 4He3He+ molecular
ion are reported. The calculations have been performed explicitly including the coupling of the electronic ...
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Bubin, Sergiy; Adamowicz, Ludwik
(2006)
In this work we present analytical expressions for Hamiltonian matrix elements with spherically symmetric, explicitly correlated Gaussian basis functions with complex exponential parameters for an arbitrary number of ...
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Cafiero, Mauricio; Bubin, Sergiy; Adamowicz, Ludwik
(2003)
We review a recent development in high-accuracy non-Born–Oppenheimer calculations of atomic and
molecular systems in a basis of explicitly correlated Gaussian functions. Much of the recent progress in this area
is due ...
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Bubin, Sergiy; Stanke, Monika; Adamowicz, Ludwik
(2009)
Variational calculations employing explicitly correlated Gaussian basis functions have been performed for the ground state of the boron monohydride molecule BH and for the boron atom B . Up to 2000 Gaussians were used ...
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Stanke, Monika; Bubin, Sergiy; Molski, Marcin; Adamowicz, Ludwik
(2009)
In this work we report variational calculations of the two lowest vibrational states of the HD molecule within
the framework that does not assume the Born-Oppenheimer BO approximation. The nonrelativistic energies
of ...
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Pavanello, Michele; Bubin, Sergiy; Molski, Marcin; Adamowicz, Ludwik
(2005)
Very accurate calculations of the pure vibrational spectrum of the HeH+ ion are reported. The
method used does not assume the Born–Oppenheimer approximation, and the motion of both the
electrons and the nuclei are treated ...
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Bubin, Sergiy; Adamowicz, Ludwik
(2004)
Very accurate non-Born–Oppenheimer variational calculations of the ground state of e1LiH have been performed using explicitly correlated Gaussian functions with preexponential factors dependent on powers of the internuclear ...
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Bubin, Sergiy; Adamowicz, Ludwik
(2006)
Very accurate, rigorous, variational, non-Born-Oppenheimer non-BO calculations have been performed for the fully symmetric, bound states of the LiH+ ion. These states correspond to the ground and excited vibrational ...
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Bednarz, Eugeniusz; Bubin, Sergiy; Adamowicz, Ludwik
(2005)
We report fully nonadiabatic calculations of all rotationless bound states of HT+ molecular ion st+p+e−d carried out in the framework of the variational method. We show that, in all the states, except the two highest ones, ...
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Bubin, Sergiy; Adamowicz, Ludwik
(2004)
We took the complete nonrelativistic Hamiltonians for the LiH and LiH2 systems, as well as their deuterated isotopomers, we separated the kinetic energy of the center of mass motion from the Hamiltonians, and with the use ...
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Bubin, Sergiy; Adamowicz, Ludwik
(2006)
Highly accurate ground-state nonrelativistic variational calculations of Ps2, 1HPs, and HPs are reported. The calculations have been performed using 5000 explicitly correlated Gaussian basis functions and yielded the ...
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Stanke, Monika; Kedziera, Dariusz; Bubin, Sergiy; Molski, Marcin; Adamowicz, Ludwik
(2008)
We report the derivation of the orbit-orbit relativistic correction for calculating pure vibrational
states of diatomic molecular systems with electrons within the framework that does not assume
the Born-Oppenheimer ...
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Bubin, Sergiy; Adamowicz, Ludwik
(2014)
Benchmark variational calculations are performed for the seven lowest 1s22s np (1P), n = 2. . . 8, states of the beryllium atom. The calculations explicitly include the effect of finite mass of 9Be nucleus and account ...
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Bubin, Sergiy; Sharkey, Keeper L.; Adamowicz, Ludwik
(2013)
Very accurate variational nonrelativistic finite-nuclear-mass calculations employing all-electron explicitly correlated Gaussian basis functions are carried out for six Rydberg 2D states (1s2nd, n= 6, . . . , 11) of the ...
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Bubin, Sergiy; Adamowicz, Ludwik
(2013)
Accurate variational quantum-mechanical calculations are performed for the nine lowest 2S (1s2ns), n =
2, . . . ,10 states of the lithium atom. The effect of the finite nuclear mass is explicitly included in the ...
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Sharkey, Keeper L.; Bubin, Sergiy; Adamowicz, Ludwik
(2011)
Very accurate variational non-relativistic calculations are performed for four higher Rydberg 2D
states (1s2nd1, n = 8, . . . , 11) of the lithium atom (7Li). The wave functions of the states are expanded
in terms of ...
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Bubin, Sergiy; Stanke, Monika; Ke¸dziera, Dariusz; Adamowicz, Ludwik
(2007)
The leading-order relativistic corrections to the ground-state energy of the positronium molecule Ps2 have been computed within the framework of perturbation theory. As the zero-order wave function we used a highly ...
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Stanke, Monika; Ke¸dziera, Dariusz; Bubin, Sergiy; Adamowicz, Ludwik
(2007)
In this work the authors present an approach to calculate the leading-order relativistic corrections for
ground and excited states of helium isotopomers. In the calculations they used variational wave
functions expanded ...
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Xie, Xinhua; Roither, Stefan; Sch¨offler, Markus; Xu, Huailiang; Bubin, Sergiy; L¨otstedt, Erik; Erattuphuza, Sonia; Iwasaki, Atsushi; Kartashov, Daniil; Varga, K´alm´an; Paulus, Gerhard G.; Baltuˇska, Andrius; Yamanouchi, Kaoru; Kitzler, Markus
(2014)
We experimentally investigate the ionizationmechanism behind the formation of remarkably high charge states
observed in the laser-pulse-induced fragmentation of different hydrocarbon molecules by Roither et al. [Phys.
Rev. ...