george pitsevich (6 risultati)

Paperback. Condizione: Brand New. 52 pages. 8.66x5.91x0.12 inches. In Stock.

Taschenbuch. Condizione: Neu. Hybrid method of studying LAM in clusters | The case of hydrogen bond | George Pitsevich | Taschenbuch | 52 S. | Englisch | 2016 | LAP LAMBERT Academic Publishing | EAN 9783659863424 | Verantwortliche Person für die EU: preigu GmbH & Co. KG, Lengericher Landstr. 19, 49078 Osnabrück, mail[at]preigu[dot]de | Anbieter: preigu.

Taschenbuch. Condizione: Neu. This item is printed on demand - it takes 3-4 days longer - Neuware -A hybrid method for analyzing vibrations of molecules and complexes with potential energy surface (PES), that is characterized by a high level of anharmonicity, is proposed in present book. Distinctive feature of the method is the accounting of all vibrational degrees of freedom. Here the full set of vibrational coordinates is divided into two subsets. The first one contains coordinates for which PES of the limited dimensionality is the most anharmonic one. The second one contains coordinates for which PES of limited dimensionality is close to the harmonic one. Accounting of the intrinsic anharmonicity and anharmonic interaction of coordinates of the first subset is carried out by the construction of multidimensional PES, followed by numerical solution of the Schrödinger equation. Accounting of the intrinsic anharmonicity and anharmonic interaction of coordinates of the second subset, as well as anharmonic interaction between coordinates of different subsets, is carried out in frame of the standard model using second-order perturbation theory. Testing of the hybrid method was performed mainly on the molecular systems with hydrogen bonds. 52 pp. Englisch.

Condizione: New. Dieser Artikel ist ein Print on Demand Artikel und wird nach Ihrer Bestellung fuer Sie gedruckt. Autor/Autorin: Pitsevich GeorgeGeorge Pitsevich is Assistant Professor at the Department of Physical Optics, Belarusian State University, Belarus.A hybrid method for analyzing vibrations of molecules and complexes with potential energy surface .

Taschenbuch. Condizione: Neu. This item is printed on demand - Print on Demand Titel. Neuware -A hybrid method for analyzing vibrations of molecules and complexes with potential energy surface (PES), that is characterized by a high level of anharmonicity, is proposed in present book. Distinctive feature of the method is the accounting of all vibrational degrees of freedom. Here the full set of vibrational coordinates is divided into two subsets. The first one contains coordinates for which PES of the limited dimensionality is the most anharmonic one. The second one contains coordinates for which PES of limited dimensionality is close to the harmonic one. Accounting of the intrinsic anharmonicity and anharmonic interaction of coordinates of the first subset is carried out by the construction of multidimensional PES, followed by numerical solution of the Schrödinger equation. Accounting of the intrinsic anharmonicity and anharmonic interaction of coordinates of the second subset, as well as anharmonic interaction between coordinates of different subsets, is carried out in frame of the standard model using second-order perturbation theory. Testing of the hybrid method was performed mainly on the molecular systems with hydrogen bonds.VDM Verlag, Dudweiler Landstraße 99, 66123 Saarbrücken 52 pp. Englisch.

Taschenbuch. Condizione: Neu. nach der Bestellung gedruckt Neuware - Printed after ordering - A hybrid method for analyzing vibrations of molecules and complexes with potential energy surface (PES), that is characterized by a high level of anharmonicity, is proposed in present book. Distinctive feature of the method is the accounting of all vibrational degrees of freedom. Here the full set of vibrational coordinates is divided into two subsets. The first one contains coordinates for which PES of the limited dimensionality is the most anharmonic one. The second one contains coordinates for which PES of limited dimensionality is close to the harmonic one. Accounting of the intrinsic anharmonicity and anharmonic interaction of coordinates of the first subset is carried out by the construction of multidimensional PES, followed by numerical solution of the Schrödinger equation. Accounting of the intrinsic anharmonicity and anharmonic interaction of coordinates of the second subset, as well as anharmonic interaction between coordinates of different subsets, is carried out in frame of the standard model using second-order perturbation theory. Testing of the hybrid method was performed mainly on the molecular systems with hydrogen bonds.