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pro vyhledávání: '"Woolley, R."'
Autor:
Sutcliffe, Brian, Woolley, R. Guy
The relationship between the chemical picture of an isolated molecule and that arising from the eiegenfunctions of the Schrodinger Coulomb Hamiltonian ror the isolated molecule are examined and discussed.
Externí odkaz:
http://arxiv.org/abs/2003.06599
Akademický článek
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Publikováno v:
The Journal of Chemical Physics 2018
The multipolar Hamiltonian of quantum electrodynamics (QED) is extensively employed in chemical and optical physics to treat rigorously the interaction of electromagnetic fields with matter. It is also widely used to evaluate intermolecular interacti
Externí odkaz:
http://arxiv.org/abs/1801.07735
Publikováno v:
J. Phys. A: Math. Theor. 48 (2015) 445201
Recently there has been a renewed interest in the chemical physics literature of factorization of the position representation eigenfunctions \{$\Phi$\} of the molecular Schr\"odinger equation as originally proposed by Hunter in the 1970s. The idea is
Externí odkaz:
http://arxiv.org/abs/1506.00103
Autor:
Sutcliffe, Brian T, Woolley, R Guy
In our previous paper [J. Chem.Phys. {\bf 137}, 22A544 (2012)] we argued that the Born-Oppenheimer approximation could not be based on an exact transformation of the molecular Schr\"{o}dinger equation. In this Comment we suggest that the fundamental
Externí odkaz:
http://arxiv.org/abs/1401.0873
Autor:
Betts, S., Blanchard, W. R., Carnevale, R. H., Chang, C., Chen, C., Chidzik, S., Ciebiera, L., Cloessner, P., Cocco, A., Cohen, A., Dong, J., Klemmer, R., Komor, M., Gentile, C., Harrop, B., Hopkins, A., Jarosik, N., Mangano, G., Messina, M., Osherson, B., Raitses, Y., Sands, W., Schaefer, M., Taylor, J., Tully, C. G., Woolley, R., Zwicker, A.
The PTOLEMY experiment (Princeton Tritium Observatory for Light, Early-Universe, Massive-Neutrino Yield) aims to achieve the sensitivity required to detect the relic neutrino background through a combination of a large area surface-deposition tritium
Externí odkaz:
http://arxiv.org/abs/1307.4738
Autor:
Sutcliffe, Brian, Woolley, R. Guy
The idea of a Potential Energy Surface (PES) forms the basis of almost all accounts of the mechanisms of chemical reactions, and much of theoretical molecular spectroscopy. It is assumed that, in principle, the PES can be calculated by means of clamp
Externí odkaz:
http://arxiv.org/abs/1303.3151
Autor:
Sutcliffe, Brian T., Woolley, R. Guy
Transition state theory was introduced in the 1930s to account for chemical reactions. Central to this theory is the idea of a potential energy surface (PES). It was assumed that such a surface could be constructed using eigensolutions of the Schr\"{
Externí odkaz:
http://arxiv.org/abs/1206.4239