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Automatic Generation of Accurate and Cost-Efficient Auxiliary Basis Sets.
J Chem Theory Comput
September 2023
Molecular Sciences Software Institute, Blacksburg, Virginia 24061, United States.
We have recently discussed an algorithm to automatically generate auxiliary basis sets (ABSs) of the standard form for density fitting (DF) or resolution-of-the-identity (RI) calculations in a given atomic orbital basis set (OBS) of any form, such as Gaussian-type orbitals, Slater-type orbitals, or numerical atomic orbitals [ , , 6886]. In this work, we study two ways to reduce the cost of such automatically generated ABSs without sacrificing their accuracy. We contract the ABS with a singular value decomposition proposed by Kállay [ , , 244113], used here in a somewhat different setting.
View Article and Find Full Text PDFAnalytical Model for the Tidal Evolution of the Evection Resonance and the Timing of Resonance Escape.
J Geophys Res Planets
June 2020
Planetary Science Directorate, Southwest Research Institute, Boulder, CO, USA.
A high-angular momentum giant impact with the Earth can produce a Moon with a silicate isotopic composition nearly identical to that of Earth's mantle, consistent with observations of terrestrial and lunar rocks. However, such an event requires subsequent angular momentum removal for consistency with the current Earth-Moon system. The early Moon may have been captured into the evection resonance, occurring when the lunar perigee precession period equals 1 year.
View Article and Find Full Text PDFRotational shot put: a phase analysis of current kinematic knowledge.
Sports Biomech
March 2022
Faculty of Health, Sport and Human Performance, University of Waikato, Tauranga, New Zealand.
The biomechanics of the rotational shot put is used to direct coaching to enhance throwing performance. Maximising shot put distance and velocity at the point of release through increasing momentum is of interest to coaches. This narrative review aimed to examine and summarise the critical kinematic variables within each of the six phases of rotational shot put associated with performance and release velocity.
View Article and Find Full Text PDFProduction of high-angular-momentum electron beams in laser-plasma interactions.
Phys Rev E
May 2017
College of New Energy and New Materials, Shenzhen Technology University, Shenzhen 518118, People's Republic of China.
It was shown that in the interactions of ultra-intense circularly polarized laser pulse with the near-critical plasmas, the angular momentum can be transferred efficiently from the laser beam to electrons through the resonance acceleration process. The transferred angular momentum increases almost linearly with the acceleration time t_{a} when the electrons are resonantly accelerated by the laser field. In addition, it is shown analytically that the averaged angular momentum of electrons is proportional to the laser amplitude a_{L}, and the total angular momentum of the accelerated electron beam is proportional to the square of the laser amplitude a_{L}^{2} for a fixed parameter of n_{e}/n_{c}a_{L}.
View Article and Find Full Text PDFEnhanced heat flow in the hydrodynamic collisionless regime.
Phys Rev Lett
August 2009
Atom Optics and Ultrafast Dynamics, Utrecht University, P.O. Box 80,000, 3508 TA Utrecht, The Netherlands.
We study the heat conduction of a cold, thermal cloud in a highly asymmetric trap. The cloud is axially hydrodynamic, but due to the asymmetric trap radially collisionless. By locally heating the cloud we excite a thermal dipole mode and measure its oscillation frequency and damping rate.
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