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Browsing Physics by Author "Adamowicz, Ludwik"
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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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Sharkey, Keeper L.; Bubin, Sergiy; Adamowicz, Ludwik
(Chemical Physics Letters, 2014-11-25)
Abstract Accurate variational nonrelativistic quantum-mechanical calculations are performed for the five lowest 1D and four lowest 3D states of the 9Be isotope of the beryllium atom. All-electron explicitly correlated ...
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Mitroy, Jim; Bubin, Sergiy; Horiuchi, Wataru; Suzuki, Yasuyuki; Adamowicz, Ludwik; Cencek, Wojciech; Szalewicz, Krzysztof; Komasa, Jacek; Blume, D.; Varga, Ka´lma´n
(2013)
The variational method complemented with the use of explicitly correlated Gaussian basis functions
is one of the most powerful approaches currently used for calculating the properties of few-body
systems. Despite its ...
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Stanke, Monika; Komasa, Jacek; Ke¸dziera, Dariusz; Bubin, Sergiy; Adamowicz, Ludwik
(2008)
We have performed high-accuracy quantum mechanical calculations for the three lowest S states of the
beryllium ion 9Be+ . The nonrelativistic part of the calculations was done with the variational approach and
explicitly ...
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Bubin, Sergiy; Formanek, Martin; Adamowicz, Ludwik
(Chemical Physics Letters, 2016-03-01)
Abstract Complex explicitly correlated one-center all-particle Gaussian functions (CECGs) are tested as basis functions for molecular non-Born–Oppenheimer (non-BO) calculations. The tests concern the complete spectrum of ...
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Bubin, Sergiy; Adamowicz, Ludwik
(2003)
Very accurate, rigorous and fully variational, all-particle, non-Born–Oppenheimer calculations of the vibrational spectrum of the H2 molecule have been performed. Very high accuracy has been achieved by expanding the wave ...
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Bubin, Sergiy; Stanke, Monika; Adamowicz, Ludwik
(2011)
We recently presented very accurate calculations of the fundamental vibrational frequency of the 7LiH+ and 3He4He+ ions [Stanke et al., Phys. Rev. A 79, 060501(R) (2009)] performed without the Born–Oppenheimer approximation ...