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 ...
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. ...
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 ...
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 ...
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 ...
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 ...
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 ...
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 ...
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, ...
Bento et al. [Phys. Rev. E 91, 022105 (2015)] state that the Tsallis entropy violates the third law of thermodynamics for q 0 and 0 < q < 1. We show that their results are valid only for q 1, since there is no distribution ...
It is often stated that heat bathswith finite degrees of freedom i.e., finite baths, are sources of Tsallis distributions for classical Hamiltonian systems. By using well-known fundamental statistical mechanics expressions, ...
The recent generalizations of the Boltzmann–Gibbs statistics mathematically rely
on the deformed logarithmic and exponential functions defined through some deformation parameters. In the present work, we investigate whether ...
The size distributions of all known coding and noncoding DNA sequences are studied in all human chromosomes. In a unified approach, both introns and intergenic regions are treated as noncoding regions. The distributions ...
Good, Michael R.R.; Anderson, Paul R.; Evans, Charles R.(2016)
There is an exact correspondence between the simplest solution to Einstein's equa-
tions describing the formation of a black hole and a particular moving mirror tra-
jectory. In both cases the Bogolubov coe cients in 1+1 ...
Anderson, Paul R.; Good, Michael R.R.; Evans, Charles R.(2015)
An exact correspondence is shown between a new moving mirror trajectory in
(1+1)D and a spacetime in (1+1)D in which a black hole forms from the collapse of
a null shell. It is shown that the Bogolubov coe cients between ...
It is recently argued that if the Hawking radiation process is unitary, then a black hole's mass cannot be monotonically decreasing. We examine the time dependent particle
count and negative energy flux in the non-trivial ...
A (3+1)-dimensional asymptotically at Kerr black hole angular speed + can be used to de ne an e ective spring constant, k = m2 +. Its maximum value is the Schwarzschild
surface gravity, k = , which rapidly weakens as ...
We investigate superfluidity, and the mechanism for creation of quantized vortices, in the relativistic regime.The general framework is a nonlinear Klein-Gordon equation in curved spacetime for a complex scalar field, whose ...
Good, Michael R.R.; Xiong, Chi; Chua, Alvin J.K.; Huang, Kerson(2015)
We consider superfluidity and quantum vorticity in rotating spacetimes. The
system is described by a complex scalar satisfying a nonlinear Klein-Gordon equation.
Rotation terms are identified and found to lead to the ...
Good, Michael R.R.; Anderson, Paul R.; Evans, Charles R.(2013-03-28)
Particle production due to a quantized, massless, minimally coupled scalar eld in two-dimensional at spacetime with an accelerating mirror is investigated, with a focus on the time dependence of the process. We analyze ...