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 Schr�dinger 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.Books on Demand GmbH, �berseering 33, 22297 Hamburg 52 pp. Englisch.

Bestandsnummer des Verk�ufers 9783659863424

Verk�ufer kontaktieren

Diesen Artikel melden

Bibliografische Details

Titel: Hybrid method of studying LAM in clusters
Verlag: LAP LAMBERT Academic Publishing Apr 2016
Ver�ffentlichungsdatum: 2016
Sprache: Englisch
ISBN-10: 3659863424
ISBN-13: 9783659863424
Bindung: Taschenbuch
Zustand: Neu

�ber diesen Titel

Inhaltsangabe

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 Schr�dinger 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.

Rese�a del editor

��ber diesen Titel� kann sich auf eine andere Ausgabe dieses Titels beziehen.

Anbieterinformationen

Impressum Thorsten Retsch Buchversand Mimpf2000 Ober�lschnitz 16 95517 Emtmannsberg Deutschland Telefon: 09209-2023188 Email: mimpf2000@online.de USt-ID-Nr.: DE 235096871 Wir f�hren gebrauchte B�cher aus allen Sparten der Literatur

Zur Homepage des Verk�ufers

Unternehmensdaten des Verk�ufers

buchversandmimpf2000
Germany

Gesch�ftsbedingungen und Versandinformationen

Verkaufsbedingungen

Widerrufsbelehrung/ Muster-Widerrufsformular/
Allgemeine Gesch�ftsbedingungen und Kundeninformationen/ Datenschutzerkl�rung

Widerrufsrecht f�r Verbraucher
(Verbraucher ist jede nat�rliche Person, die ein Rechtsgesch�ft zu Zwecken abschlie�t, die �berwiegend weder ihrer gewerblichen noch ihrer selbstst�ndigen beruflichen T�tigkeit zugerechnet werden kann.)

Widerrufsbelehrung

Widerrufsrecht
Sie haben das Recht, binnen vierzehn Tagen ohne Angabe von Gr�nden diesen Vertrag zu widerrufen.
Die Widerru...

Mehr Information

Versandbedingungen

Soweit in der Artikelbeschreibung keine andere Frist angegeben ist, erfolgt die Lieferung der Ware innerhalb von 3-5 Werktagen nach Vertragsschluss, bei Vorauszahlung erst nach Eingang des vollst�ndigen Kaufpreises und der Versandkosten. Alle Preise inkl. MwSt.

Impressum & Info zum Verk�ufer