نتایج جستجو برای: homonuclear diatomic molecules

تعداد نتایج: 194478  

2003
Michael A. Collins

A moving interpolation technique which provides an accurate representation of potential energy surfaces for polyatomic molecules is presented. The method uses the ab initio energy, energy gradient, and second derivatives calculated at dynamically important configurations. The interpolant of the energy and its derivatives converges to the exact value with increasing number of data. A procedure i...

2016
R. E. F. Silva P. Rivière F. Morales O. Smirnova M. Ivanov F. Martín

Isotropic gases irradiated by long pulses of intense IR light can generate very high harmonics of the incident field. It is generally accepted that, due to the symmetry of the generating medium, be it an atomic or an isotropic molecular gas, only odd harmonics of the driving field can be produced. Here we show how the interplay of electronic and nuclear dynamics can lead to a marked breakdown o...

Journal: :Bulletin of the Chemical Society of Japan 1984

Journal: :Journal of Physics B: Atomic, Molecular and Optical Physics 2010

Journal: :TRANSACTIONS OF THE JAPAN SOCIETY OF MECHANICAL ENGINEERS Series B 2002

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