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Variational calculations of excited states with zero total angular momentum vibrational spectrum of H2 without use of the Born–Oppenheimer approximation

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 ...
Non-Born–Oppenheimer calculations of atoms and molecules

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 ...
Non-Born–Oppenheimer study of positronic molecular systems: e¿LiH

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 ...
Nonrelativistic molecular quantum mechanics without approximations: Electron affinities of LiH and LiD

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 ...
Non-Born–Oppenheimer calculations of the pure vibrational spectrum of HeH+

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 ...
An accurate non-Born–Oppenheimer calculation of the first purely vibrational transition in LiH molecule

Bubin, Sergiy; Adamowicz, Ludwik; Molski, Marcin (2005)

In this work we study the ground and the first vibrationally excited states of LiH molecule. We performed an extensive nonrelativistic variational calculations of the two states without using the Born–Oppenheimer approximation. ...
Non-Born–Oppenheimer variational calculations of HT+ bound states with zero angular momentum

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, ...
Functionalization of single-walled carbon nanotubes using isotropic plasma treatment: Resonant Raman spectroscopy study

Utegulov, Z. N.; Mast, David B.; He, Peng; Shi, Donglu; Gilland, Robert F. (2005)

Functionalization of single-walled carbon nanotubes sSWNTsd by isotropic plasma treatment was studied using resonant Raman spectroscopy. It was shown that plasma-induced functionalization results in the uniaxial isotropic ...
Charge asymmetry in HD+

Bubin, Sergiy; Bednarz, Eugeniusz; Adamowicz, Ludwik (2005)

Expanding the wave functions of the ground and excited states of HD1 ~or pde) in terms of spherically symmetric explicitly correlated Gaussian functions with preexponential multipliers consisting of powers of the internuclear ...
LCDG4 and DigiSim – Simulation activities at NICADD/NIU

Beznosko, Dmitriy; Blazey, G.; Chakraborty, D.; Dyshkant, A.; Francis, K.; Kubik, D.; Lima, J.G.R.; McCormick, J.; McIntosh, R.; Rykalin, V.; Zutshi, V. (2005)

We present two software packages developed to support detector R&D studies for the International Linear Collider. LCDG4 is a full-detector simulator that provides energy deposits from particles traversing the sensitive ...
The general solution for relativistic spherical shells

Kijowski, J.; Magli, G.; Malafarina, D. (2005)

The general exact solution of the Einstein-matter field equations describing spherically symmetric shells satisfying an equation of state in closed form is discussed under general assumptions of physical reasonableness. ...
Quantum entanglement via nilpotent polynomials

Mandilara, Aikaterini; Akulin, Vladimir M.; Smilga, Andrei V.; Viola, Lorenza (2006)

We propose a general method for introducing extensive characteristics of quantum entanglement. The method relies on polynomials of nilpotent raising operators that create entangled states acting on a reference vacuum ...
Convergence of Experiment and Theory on the Pure Vibrational Spectrum of HeH

Stanke, Monika; Kedziera, Dariusz; Molski, Marcin; Bubin, Sergiy; Barysz, Maria; Adamowicz, Ludwik (2006)

Very accurate quantum mechanical calculations of the pure vibrational spectrum of the HeH molecular ion are reported and compared with newly obtained pure vibrational transitions extracted from the available experimental ...
Non-Born-Oppenheimer variational calculation of the ground-state vibrational spectrum of LiH+

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 ...
Darwin and mass-velocity relativistic corrections in the non-Born-Oppenheimer calculations of pure vibrational states of H2

Ke¸dziera, Dariusz; Stanke, Monika; Bubin, Sergiy; Barysz, Maria; Adamowicz, Ludwik (2006)

The Darwin and mass-velocity relativistic corrections have been calculated for all pure vibrational states of the H2 using the perturbation theory and very accurate variational wave functions obtained without assuming ...
Matrix elements of N-particle explicitly correlated Gaussian basis functions with complex exponential parameters

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 ...
Quality Control Studies of Wavelength Shifting Fibers for a Scintillator- based Tail-Catcher Muon-Tracker Linear Collider Prototype Detector

Dyshkant, A.; Beznosko, Dmitriy; Blazey, G.; Rykalin, V.; Zutshi, V. (2006)

Detailed measurements of the wavelength shifting fiber response to a stable and reliable light source are presented. Details about materials, a double reference method, and measurement technique are included. The fibers ...
Extruded scintillator for the Calorimetry applications

Dyshkant, A.; Rykalin, V.; Pla-Dalmau, A.; Beznosko, Dmitriy (2006)

An extrusion line has been installed and successfully operated at FNAL (Fermi National Accelerator Laboratory) in collaboration with NICADD (Northern Illinois Center for Accelerator and Detector Development). This new ...
Darwin and mass-velocity relativistic corrections in non-Born-Oppenheimer variational calculations

Kedziera, Dariusz; Stanke, Monika; Bubin, Sergiy; Barysz, Maria; Adamowicz, Ludwik (2006)

The Pauli approach to account for the mass-velocity and Darwin relativistic corrections has been applied to the formalism for quantum mechanical molecular calculations that does not assume the Born-Oppenheimer BO ...
Nonrelativistic variational calculations of the positronium molecule and the positronium hydride

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 ...