Synopsis
This book presents the Coreless Hartree-Fock Effective Potential method (CHEEP) and outlines its application to atoms belonging to the first three rows of the periodic table (specifically elements Be through Zn). The CHEEP method is a way of replacing core orbitals, significantly simplifying calculations without compromising their quality. The potentials presented in this book were created by the author as functional analytic fits and were tested for use with various Gaussian basis sets. These findings are also included in this book. The CHEEP approach has a long history and builds on the work of Phillips, Kleinman, Bonifacic, and Huzinaga, with the latter represented in this book by their equation (16). This book represents a valuable resource for those engaged in quantum chemistry, providing a detailed look at the theoretical underpinnings and practical applications of the CHEEP method.
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Ab Initio Effective Potentials for Atoms of the First Three Rows of the
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Paperback. Condition: New. Print on Demand. This book presents the Coreless Hartree-Fock Effective Potential method (CHEEP) and outlines its application to atoms belonging to the first three rows of the periodic table (specifically elements Be through Zn). The CHEEP method is a way of replacing core orbitals, significantly simplifying calculations without compromising their quality. The potentials presented in this book were created by the author as functional analytic fits and were tested for use with various Gaussian basis sets. These findings are also included in this book. The CHEEP approach has a long history and builds on the work of Phillips, Kleinman, Bonifacic, and Huzinaga, with the latter represented in this book by their equation (16). This book represents a valuable resource for those engaged in quantum chemistry, providing a detailed look at the theoretical underpinnings and practical applications of the CHEEP method. This book is a reproduction of an important historical work, digitally reconstructed using state-of-the-art technology to preserve the original format. In rare cases, an imperfection in the original, such as a blemish or missing page, may be replicated in the book. print-on-demand item. Seller Inventory # 9781332095483_0
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AB Initio Effective Potentials for Atoms of the First Three Rows of the Periodic Table (Classic Reprint)
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