Geometrical Derivatives of Energy Surfaces and Molecular Properties

Name: Geometrical Derivatives of Energy Surfaces and Molecular Properties
Brand: Springer Nature
SKU: 9789027721761
Availability: InStock

Geometrical Derivatives of Energy Surfaces and Molecular Properties

Brand

Springer Nature

Manufacturer

N/A

Part Number

GTIN

9789027721761

Condition

New

0 Reviews

0 Questions | 0 Answers

Product Description

The development and computational implementation of analytical expres sions for the low-order derivatives of electronic energy surfaces and other molecular properties has undergone rapid growth in recent years. It is now fairly routine for chemists to make use of energy gradient information in locating and identifying stable geometries and transition states. The use of second analytical derivative (Hessian or curvature) expressions is not yet routine, and third and higher energy derivatives as well as property (e.g., dipole moment, polarizability) derivatives are just beginning to be applied to chemical problems. This NATO Advanced Research Workshop focused on analyzing the re lative merits of various strategies for deriving the requisite analyti cal expressions, for computing necessary integral derivatives and wave function parameter derivatives, and for efficiently coding these expres sions on conventional scalar machines and vector-oriented computers. The participant list contained many scientists who have been instrumen tal in bringing this field to fruition as well as eminent scientists who have broad knowledge and experience in quantum chemistry in general.

Available Colors

N/A

Available Sizes

N/A

1 Offer Price Range: $129.00 - $129.00

BEST PRICE

Single Product Purchase

$129.00

@ Link.springer.com BUY Now

Price Comparison

Seller	Contact Seller	List Price	On Sale	Shipping	Best Promo	Final Price	Volume Discount	Financing	Availability	Seller's Page
BEST PRICE 1 Product Purchase @ Link.springer.com Rate Seller This functionality is for registered users only. Go to Login/Register		$129.00	$129.00			$129.00		See Site	In stock	Visit Store