Can I read Molecular Electronic-Structure Theory Part 1 on EtoBox?

Molecular Electronic-Structure Theory Part 1 by Helgaker, Trygve, Jorgensen, Poul, Olsen, Jeppe is a nonfiction available to read on EtoBox.

What is Molecular Electronic-Structure Theory Part 1 about?

<p>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.</p> <p>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:<br> * Second quantization with spin adaptation</p> <p>* Gaussian basis sets and molecular-integral evaluation</p> <p>* Hartree-Fock theory</p> <p>* Configuration-interaction and multi-configurational self-consistent theory</p> <p>* Coupled-cluster theory for ground and excited states</p> <p>* Perturbation theory for single- and multi-configurational states</p> <p>* Linear-scaling techniques and the fast multipole method</p> <p>* Explicity correlated wave functions</p> <p>* Basis-set convergence and extrapolation</p> <p>* Calibration and benchmarking of computational methods, with applications to moelcular equilibrium structure, atomization energies and reaction enthalpies.<br> Mo

Who reads Molecular Electronic-Structure Theory Part 1?

Author

Helgaker, Trygve, Jorgensen, Poul, Olsen, Jeppe

Publisher

John Wiley & Sons, Incorporated

Published

2000

Language

EN

ISBN

9781119019558

Category

nonfiction

Subjects

Science, Technology, Chemistry