SULJE VALIKKO

avaa valikko

Localization and Delocalization in Quantum Chemistry - Ionized and Excited States
78,50 €
Springer
Sivumäärä: 483 sivua
Asu: Kovakantinen kirja
Painos: 1976
Julkaisuvuosi: 1976, 30.06.1976 (lisätietoa)
Kieli: Englanti
The second volume of the proceedings of the international seminar devoted to locali· zation and delocalization in quantum chemistry is divided into four parts. The first one is mainly concerned with the localizability of electrons in ionized and exited states. The second part shows how is it possible to take advantage of the localizability of electrons to compute molecular wave-functions. The third part of the book is an homogeneous analysis of the electronic collective excitation and of the motion of excitons in organic solids. The last section is devoted to the study of the role of electron localizability in the chemical reactivity of molecules. Concluding remarks are concerned with a careful analysis of the localizability concept itself in relation with a possible interpretation of the wave-mechanics. PART I ELECTRON LOCALIZATION IN IONIZED AND EXCITED STATES APPLICATIONS OF PAIR DENSITY ANALYSIS R. CONSTANCIEL and L. ESNAULT Centre de Mecanique Ondulatoire Appliquee, Paris, France Abstract. The method of pair density analysis is applied to various kinds of calculations. We examine the influence of the quality of the wavefunction and of the nuclear configuration; the problem of hybridization is discussed, as weIl as the relations between separability and excitation.

Tuotetta lisätty
ostoskoriin kpl
Siirry koriin
LISÄÄ OSTOSKORIIN
Tuote on tilapäisesti loppunut ja sen saatavuus on epävarma. Seuraa saatavuutta.
Myymäläsaatavuus
Helsinki
Tapiola
Turku
Tampere
Localization and Delocalization in Quantum Chemistry - Ionized and Excited Stateszoom
Näytä kaikki tuotetiedot
Sisäänkirjautuminen
Kirjaudu sisään
Rekisteröityminen
Oma tili
Omat tiedot
Omat tilaukset
Omat laskut
Lisätietoja
Asiakaspalvelu
Tietoa verkkokaupasta
Toimitusehdot
Tietosuojaseloste