Contacto
Cómo comprar
Entrega
Guía de compras
Basis Sets in Computational Chemistry
Inglés
414 b
Hasta 30 días para devoluciones
Clientes que también han comprado
/
Tapa blanda
60.89
€
/
Tapa blanda
41.49
€
This book addresses the construction and application of the major types of basis sets for computational chemistry calculations. In addition to a general introduction, it includes mathematical basics and a discussion of errors arising from incomplete or inappropriate basis sets. The different chapters introduce local orbitals and orbital localization as well as Slater-type orbitals and review basis sets for special applications, such as those for correlated methods, solid-state calculations, heavy atoms and time-dependent adaptable Gaussian bases for quantum dynamics simulations. This detailed review of the purpose of basis sets, their design, applications, possible problems and available solutions provides graduate students and beginning researchers with information not easily obtained from the available textbooks and offers valuable supporting material for any quantum chemistry or computational chemistry course at the graduate and/or undergraduate level. This book is also useful as a guide for researchers who are new to computational chemistry but are willing to extend their research tools by applying such methods.
Sobre el libro
Inglés
Categorías
Regale este libro hoy
Es fácil
1 Añadir al carrito y elegir Entregar como regalo en el checkout 2 Le enviaremos un vale 3 El libro llegará a la dirección del destinatarioTambién puede interesarle
/
Tapa blanda
40.69
€
/
Tapa dura
215.59
€
¡Hola! Soy Libroamiko, tu asesor de libros.
¿Cómo puedo ayudarte?