Results 251 to 260 of about 11,858,229 (275)

Constrained energy functionals obtained as solutions to a partial differential equation

The Journal of Chemical Physics, 1984
The constrained energy functional, defined by E0(a) =minSa{a〈Ψ‖Ĥ0‖Ψ〉a}, ai=a〈Ψ‖Âi‖Ψ〉a, i=1, ..., M, ‖Ψ〉a∈Sa, with a={ai} a preassigned set of expectation values generated by any state vector ‖Ψ〉a in the class Sa, is shown to satisfy a first order, but nonlinear, partial differential equation. The equation results by replacing the Lagrange multipliers
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Imaging performance of annular apertures 5: Total and partial energy integral functions

Applied Optics, 1983
The total energy integral functions for apodization T1 = (1 - r2)n and T2 = (2r - r2)n are compared for unobstructed apertures. The energy values increase linearity for T2 and with the (2n + 3) power for T1. For obstructed apertures, these values for T1 increase with higher powers at small image radii and assume linear characteristics only at larger ...
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Government subsidies and firm-level renewable energy investment: New evidence from partially linear functional-coefficient models

Energy Policy, 2021
Abstract Understanding the heterogeneity and influencing factors of renewable energy investment between enterprises can help to evaluate existing policies and provide guidance for future subsidy policies. This paper investigates how the relationship between government subsidies and renewable energy investment depends on enterprise size and relaxes ...
Rui Bai, Boqiang Lin, Xiying Liu
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Interaction energies of diatomic molecules using partial antisymmetry and Hartree-Fock atomic wave functions

International Journal of Quantum Chemistry, 1990
We provide a numerical test of a new approach to calculating approximate interatomic interaction energies based on partial antisymmetry (PA) [Adams, Chem. Phys. Lett. 68, 511 (1979)]. We use spin-coupled products of single determinant atomic wave functions to approximate a particular primitive wave function of the diatomic.
Robert A. Vergenz, William H. Adams
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Estimation ofactivities and excess Gibbs energy of 19 binary liquid alloys from partial pair distribution functions

2023
This work proposes a new method for estimating the excess Gibbs energy and activity of liquid alloy based on partial pair distribution function (PPDF). This work utilized the PPDF to calculate the parameters of the MIVM, RSM, Wilson, and NRTL model. This new method offers simplicity, numerical calculation stability, and excellent reproducibility.
Chunlong Wang, xiuMin Chen, dongping Tao
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A Method for the Multicriteria Synthesis of Antenna Arrays on the Basis of a Functional of the Energy Optimization and Control of a Set of Partial Beams

Journal of Communications Technology and Electronics, 2018
A method for the multicriteria synthesis of antenna arrays taking into account requirements on the shape of the radiation pattern, the envelope of the pattern sidelobes, and the directivity factor in the form of a compromise between a set of partial solutions is proposed.
A. A. Bezuglov, A. V. Litvinov, S. E. Mishchenko, V. V. Shatskii   +3 more
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The photoelectron spectrum of N2, and partial cross sections as a function of photon energy from 16 to 40 eV

Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences, 1977
Abstract The Daresbury electron synchrotron has been used to provide photons from 16 to 40 eV for an investigation of the photoelectron spectrum of molecular nitrogen. A cylindrical mirror analyser was designed so as to obtain partial cross sections which are not dependent upon the asymmetry parameter β of the ejected photoelectrons ...
Pamela R. Woodruff, G. V. Marr
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The impact of higher polarization functions of second-order dispersion energy. Partial wave expansion and damping phenomenon for He2

Chemical Physics, 1987
Abstract Convergence properties of the Moller—Plesset dispersion energy with respect to saturation of polarization basis set have been investigated, by means of the partial wave expansion through “i” terms, for the He dimer. The expansion proved to be slowly convergent and ineffective if accurate calculations are aimed at.
Maciej Gutowski, Jacob Verbeek, Joop H. van Lenthe, Grzegorz Chałasiński   +3 more
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Microwave spectra of partially deuterated acetic acid: Internal rotation, potential energy function, and methyl group geometry

Journal of Molecular Spectroscopy, 1985
Abstract The microwave spectra of CH 2 DCOOH and CHD 2 COOH have been studied by means of microwave-microwave double resonance. For the asy rotamers torsional splittings (5898 and 530 MHz, respectively) and effective rotational constants were determined in the ground state.
B.P. van Eijck, E. van Zoeren
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Gas–liquid nucleation in partially miscible systems: Free-energy surfaces and structures of nuclei from density functional calculations

The Journal of Chemical Physics, 1999
Gas–liquid nucleation in partially miscible Lennard-Jones systems is studied using the density functional theory in a perturbation approach. Nucleation properties are examined in a symmetric and an asymmetric mixture. Both systems are shown to form two kinds of mixed critical nuclei in one vapor composition.
Ismo Napari, Ari Laaksonen
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