Title: Ab Initio Effective Potentials for Atoms of the First Three Rows of the Periodic Table (Classic Reprint)
Publisher: Forgotten Books
Publication Date: 2018
Language: English
ISBN 10: 0484562630
ISBN 13: 9780484562638
Binding: HRD
Condition: New
Weight: 381 grams

About this title

Synopsis

Cut computation time without sacrificing accuracy in atomic simulations.

This book presents a practical approach to modeling atoms by focusing on valence electrons while simplifying the treatment of core electrons. It explains how effective and model potentials can dramatically reduce the size of calculations and the resources required, without losing essential accuracy.

The work surveys pseudopotentials, effective potentials, and related methods, showing how to replace all‑electron problems with streamlined, valence‑focused Hamiltonians. It includes theoretical background, comparisons to full Hartree–Fock results, and a series of tested potentials for the first three rows of the periodic table. Practical data, tests, and basis sets are provided to help readers apply these techniques in real calculations.

Understand the difference between pseudopotentials and model/effective potentials and when each is useful.
See how core orbitals are kept orthogonal and how tail regions of valence orbitals are accurately described.
Learn about real‑world tests comparing full SCF results with effective potentials for various states and elements.
Access data like basis exponents, potential forms, and example results for elements from Li to Zn, including transition metals.

Ideal for researchers and students who want a practical, data‑driven guide to faster electronic structure calculations.

"About this title" may belong to another edition of this title.

Store Description

We first started out as ?The Paperback Exchange,? a chain of physical bookstores where we would part exchange your beloved books for new stories to transport you to faraway places. However, as shopping started to evolve to online shops and marketplaces, we bid our stores goodbye to become ?PBShop.? This transition has only allowed us to blossom as we now ship thousands of titles to book lovers across the globe. We pride ourselves in being a community of local book lovers which allows our passion and devotion to shine in everything we do. In 2020 we not only celebrated our 20th birthday but our 1st birthday as being completely employee owned after becoming an E.O.T in September 2019. We are proud to be different and embrace standing apart on a book mountain by working from a virtual inventory which allows us to provide thousands of books that may be difficult to get for your bookshelf or your studies. Working with a number of different suppliers allows us to explore other avenues such as puzzles, sheet music and even stationery so we really do have something for everyone. Life is about being versatile in all realms of existence. If this is your first visit or you are a returning customer, we would like to welcome you to the PBShop family, for there is no friend as loyal as a book. We are a company who put our customers at the centre of everything we do as we understand the importance of reading because once you learn to read, you will forever be free. There are a whole lot of things in this world of ours that we are yet to explore, which is why we will forever inspire curious minds.

Visit Seller's Storefront

Seller's business information

Pbshop.co.uk Ltd
Unit 22 Horcott Industrial Estate, Horcott Road, Fairford, GL7 4BX, United Kingdom

Sale & Shipping Terms

Terms of Sale

Returns Policy
We ask all customers to contact us for authorisation should they wish to return their order. Orders returned without authorisation may not be credited.
If you wish to return, please contact us within 14 days of receiving your order to obtain authorisation.

Returns requested beyond this time will not be authorised.

Our team will provide full instructions on how to return your order and once received our returns department will process your refund.
Please note the cost to return any...

More Information

Shipping Terms

Books are shipped from UK warehouse. Delivery thereafter is between 4 and 14 business days dependant upon your location - please do contact us with any queries you may have.

Shipping rates within U.S.A.

Shipping rates within U.S.A.
Order quantity	7 to 14 business days	7 to 14 business days
First item	US$ 0.00	US$ 0.00

Delivery times are set by sellers and vary by carrier and location. Orders passing through Customs may face delays and buyers are responsible for any associated duties or fees. Sellers may contact you regarding additional charges to cover any increased costs to ship your items.