Kniha Computational Chemistry Errol G. Lewars

Computational Chemistry

Introduction to the Theory and Applications of Molecular and Quantum Mechanics

Jazyk: Angličtina
Väzba: Pevná
Vydavateľ: Springer, Berlin
Dostupnosť: Skladom u dodávateľa
Odosielame za 10-13 dní
126.83
This is the fourth edition of the successful textbook on computational chemistry which continues to...

Informácie o knihe

Jazyk
Angličtina
Väzba
Kniha - Pevná
Vydalo
2024
Stránok
768
EAN
9783031514425
Enbook ID
44568461
Vydavateľ
Hmotnosť
1282
Rozmery
155 x 235

Kompletný popis

This is the fourth edition of the successful textbook on computational chemistry which continues to provide a comprehensive introduction to the theory and practice of computational chemistry. Notable updates include a review of references up to mid-2023, encompassing recent developments in scientific journals, books, and software. The evolving prominence of density functional theory (DFT) is emphasized, and attention is given to the increasing application of artificial intelligence in computational chemistry. The book maintains key features from the previous edition, delving into the mathematical intricacies of ab initio and density functional methods at an introductory level. Clear explanations of matrix methods are provided, offering a direct approach to obtaining energy levels and molecular orbitals. Additionally, each chapter includes sets of "Easier" and "Harder" drill questions, with suggested answers at the end of the book, enhancing the learning experience. The book is intended for upper-year undergraduate and graduate students studying computational and theoretical chemistry and for self-study by researchers in universities and industry to whom computational chemistry may be useful.

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