0
Your cart

Your cart is empty

Browse All Departments
  • All Departments
Price
  • R2,500 - R5,000 (1)
  • -
Status
Brand

Showing 1 - 1 of 1 matches in All Departments

Introduction to Relativistic Quantum Chemistry (Hardcover): Kenneth G. Dyall, Knut Faegri Introduction to Relativistic Quantum Chemistry (Hardcover)
Kenneth G. Dyall, Knut Faegri
R4,112 Discovery Miles 41 120 Ships in 9 - 15 working days

This book provides an introduction to the essentials of relativistic effects in quantum chemistry, and a reference work that collects all the major developments in this field. It is designed for the graduate student and the computational chemist with a good background in nonrelativistic theory. In addition to explaining the necessary theory in detail, at a level that the non-expert and the student should readily be able to follow, the book discusses the implementation of the theory and practicalities of its use in calculations. After a brief introduction to classical relativity and electromagnetism, the Dirac equation is presented, and its symmetry, atomic solutions, and interpretation are explored. Four-component molecular methods are then developed: self-consistent field theory and the use of basis sets, double-group and time-reversal symmetry, correlation methods, molecular properties, and an overview of relativistic density functional theory. The emphases in this section are on the basics of relativistic theory and how relativistic theory differs from nonrelativistic theory. Approximate methods are treated next, starting with spin separation in the Dirac equation, and proceeding to the Foldy-Wouthuysen, Douglas-Kroll, and related transformations, Breit-Pauli and direct perturbation theory, regular approximations, matrix approximations, and pseudopotential and model potential methods. For each of these approximations, one-electron operators and many-electron methods are developed, spin-free and spin-orbit operators are presented, and the calculation of electric and magnetic properties is discussed. The treatment of spin-orbit effects with correlation rounds off the presentation ofapproximate methods. The book concludes with a discussion of the qualitative changes in the picture of structure and bonding that arise from the inclusion of relativity.

Free Delivery
Pinterest Twitter Facebook Google+
You may like...
Polaroid Fit Active Watch (Pink)
R742 Discovery Miles 7 420
Strontium Technology AMMO USB 3.1 flash…
R70 R53 Discovery Miles 530
Sherlock: Series 1 and 2
Benedict Cumberbatch, Martin Freeman, … Blu-ray disc R139 Discovery Miles 1 390
A Seed Of A Dream - Morris Isaacson High…
Clive Glaser Paperback R265 R195 Discovery Miles 1 950
Bennett Read Digital Tower Fan Heater…
R1,299 R1,099 Discovery Miles 10 990
Cable Guy Ikon "Light Up" Marvel…
R543 Discovery Miles 5 430
Hot Wheels Aluminium Bottle…
R129 R79 Discovery Miles 790
Sylvanian Families - Walnut Squirrel…
R749 R579 Discovery Miles 5 790
Bestway Spider-Man Beach Ball (51cm)
R50 R45 Discovery Miles 450
Alcolin Cold Glue (125ml)
R46 Discovery Miles 460

 

Partners