Second Quantization-Based Methods in Quantum Chemistry

Science & Math

Jorgensen, Poul

Chemistry

Academic Press

Molecular Electronic-Structure Theory

Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods. This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include: * Second quantization with spin adaptation * Gaussian basis sets and molecular-integral evaluation * Hartree-Fock theory * Configuration-interaction and multi-configurational self-consistent theory * Coupled-cluster theory for ground and excited states * Perturbation theory for single- and multi-configurational states * Linear-scaling techniques and the fast multipole method * Explicity correlated wave functions * Basis-set convergence and extrapolation * Calibration and benchmarking of computational methods, with applications to moelcular equilibrium structure, atomization energies and reaction enthalpies. Molecular Electronic-Structure Theory makes extensive use of numerical examples, designed to illustrate the strengths and weaknesses of each method treated. In addition, statements about the usefulness and deficiencies of the various methods are supported by actual examples, not just model calculations. Problems and exercises are provided at the end of each chapter, complete with hints and solutions. This book is a must for researchers in the field of quantum chemistry as well as for nonspecialists who wish to acquire a thorough understanding of ab initio molecular electronic-structure theory and its applications to problems in chemistry and physics. It is also highly recommended for the teaching of graduates and advanced undergraduates.

Helgaker, Trygve

Olsen, Jeppe

wiley

Poul Jorgensen's Modern Trout Flies and How to Tie Them

Poul Jorgensen's Modern trout flies and how to tie them

Sports & Outdoors

Hunting & Fishing

N. Lyons Books

220 color photos, 9 x 8 Completely revised and updated Now in full color More than 160 patterns, with step-by-step tying instructions First published twenty years ago, Salmon Flies has become a standard reference for salmon fly tiers worldwide. The new edition has been completely redone -the black and white photos replaced by color, new patterns added, text updated to reflect changes in materials, tools, and techniques. Styles covered include the strip wing, fully dressed feather wing, low water, dry, prawn and grub, Waddington shank, Dee, Spey, and tube.

Salmon Flies

Stackpole Books

one of the world's best fly tyers provides instructions covering over a hundred patterns mayfly nymphs, duns and spinners; caddis larvae, pupae and adults; stone fly nymphs, terrestrials and hellgrammites. Many large instructional photos

Modern Fly Dressings for the Practical Angler

Winchester Press

The author is a master fly tier. This book is a comprehensive manual on tying a wide variety of saltwater and freshwater flies. Step-by-step instructions. Helpful for both the beginner and the expert. Many large photos and sketches

Dressing Flies for Fresh and Salt Water

Freshet Press

Poul Jorgensen's Modern Trout Flies

UNKNO

Density-Functional Theory: A Convex Treatment

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Books by Jorgensen, Poul