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pro vyhledávání: '"Paterson, M"'
Autor:
Plackett, E., Robertson, C., De Matos Loja, A., McGhee, H., Karras, G., Sazanovich, I. V., Ingle, R. A., Paterson, M. J., Minns, R. S.
Publikováno v:
Journal of Chemical Physics; 3/28/2024, Vol. 160 Issue 12, p1-12, 12p
Akademický článek
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Autor:
Ng, S. -L., Paterson, M. B.
Difference sets and their generalisations to difference families arise from the study of designs and many other applications. Here we give a brief survey of some of these applications, noting in particular the diverse definitions of difference famili
Externí odkaz:
http://arxiv.org/abs/1509.05255
Autor:
Coe, J. P., Paterson, M. J.
Publikováno v:
Theor. Chem. Acc. 134, 58 (2015)
We adapt the method of Monte Carlo configuration interaction to calculate core-hole states and use this for the computation of X-ray emission and absorption values. We consider CO, CH$_{4}$, NH$_{3}$, H$_{2}$O, HF, HCN, CH$_{3}$OH, CH$_{3}$F, HCl and
Externí odkaz:
http://arxiv.org/abs/1505.01407
Autor:
Coe, J. P., Paterson, M. J.
Publikováno v:
J. Chem. Phys. 141, 124118 (2014)
We propose using sum-over-states calculations with the compact wavefunctions of Monte Carlo configuration interaction to approach accurate values for higher-order dipole properties up to second hyperpolarizabilities in a controlled way. We apply the
Externí odkaz:
http://arxiv.org/abs/1409.7276
Publikováno v:
Australian Veterinary Journal; Mar2024, Vol. 102 Issue 3, p87-95, 9p
Publikováno v:
Chem. Phys. Lett. 604, 46 (2014)
We calculate potential curves for transition metal dimers using Monte Carlo configuration interaction (MCCI). These results, and their associated spectroscopic values, are compared with experimental and computational studies. The multireference natur
Externí odkaz:
http://arxiv.org/abs/1405.5709