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Approximation Method for High-Energy Potential Scattering
Physical Review, 1956An approximation method for high-energy potential scattering is developed that expresses the scattered amplitude in terms of a quadrature, similar to the Born approximation but superior to it in accuracy. It is valid when the potential is slowly varying compared to a wavelength, $\frac{|V|}{{E}^{\ensuremath{'}}}$ is small compared to unity ...
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Potential energy integrals in semiempirical MO methods
International Journal of Quantum Chemistry, 1974AbstractThe two‐center core‐electron attraction integral VAB in zero‐differential overlap semiempirical MO methods is examined. It is concluded that core‐valence orthogonality and valence symmetrical orthogonalization effects must be considered, and that these effects provide justification for the CNDO/2 approximation VAB = ZBγAB.
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Transient stability evaluation using line potential energy method
7th IET International Conference on Advances in Power System Control, Operation and Management (APSCOM 2006), 2006Conservativeness of the results and computation burden are the common drawbacks of the transient energy function method. The transient line potential energy method, on the contrary, is simple and fast since it has made no assumption on the system models and requires only a small number of locally measurable quantities.
W.P. Yuan, K.W. Chan, Y. Zhang
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Potential energy curves: A simple and rapid method
Journal of Molecular Structure: THEOCHEM, 1984Abstract The true potential energy curves for different electronic states of diatomic molecules have been constructed by a simplified and modified form of the Jarmain method. To check the validity of this new procedure potential energy curves are constructed for NO + , VO, Si 2 , AsO, AsO + , PF + , CO and Bi 2 .
R.R. Reddy, A.S.R. Reddy, T.V.R. Rao
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Modified bielectronic potential method for correlation energy
International Journal of Quantum Chemistry, 1979AbstractLöwdin's correlation potential formalism has been used to define a modified bielectronic potential, allowing one to calculate the exact electronic energy, given the Hartree–Fock wave function. This modified potential is in principle peculiar to each electronic system, and is defined by a correlation factor depending on the interelectronic ...
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A general polyatomic potential energy surface fitting method
International Journal of Quantum Chemistry, 1988A general technique will be outlined which provides a systematic means for fitting polyatomic potential energy surfaces. Use is made of both ab initio energy and gradient data to fit the surface about an N-dimensional reference curve connecting stationary points. The reference curve may be modified iteratively during the course of the fitting.
Paul G. Jasien, Ron Shepard
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An approximation method for high-energy potential scattering
Nuclear Physics, 1964A simple approximation method is proposed to investigate the scattering of high-energy Schrodinger particles by some spherically symmetrical potentials which have no sharp boundaries but whose shapes do not deviate much from a square well form. The method is applicable when the strength of the potential is substantially smaller than the incident energy
Nishida, Yoshihiko +2 more
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1981
The application of potential energy methods is primarily directed towards the determination of sets of unknown deflexions and, as such, is an equilibrium approach to structural analysis.
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The application of potential energy methods is primarily directed towards the determination of sets of unknown deflexions and, as such, is an equilibrium approach to structural analysis.
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Liquefaction potential evaluations: energy-based method versus stress-based method
Canadian Geotechnical Journal, 2013A dataset of undrained cyclic triaxial tests for liquefaction with parametrically changing relative density and fines content is reviewed and interpreted in the scope of energy. It is found that the strain amplitude or pore-pressure buildup during cyclic loading is uniquely correlated not only to the energy dissipated in soil specimens, but also to ...
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Methods for finding transition states on reduced potential energy surfaces
The Journal of Chemical Physics, 2010Three new algorithms are presented for determining transition state (TS) structures on the reduced potential energy surface, that is, for problems in which a few important degrees of freedom can be isolated. All three methods use constrained optimization to rapidly find the TS without an initial Hessian evaluation.
Steven K, Burger, Paul W, Ayers
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