Quantum Chemistry, 2/e (Hardcover)

Donald A. McQuarrie

  • 出版商: University Science
  • 出版日期: 2007-10-31
  • 售價: $2,380
  • 貴賓價: 9.8$2,332
  • 語言: 英文
  • 頁數: 690
  • 裝訂: Hardcover
  • ISBN: 1891389505
  • ISBN-13: 9781891389504
  • 相關分類: 化學 Chemistry量子 Quantum
  • 無法訂購

商品描述

After twenty-four years in print, Don McQuarrie has now updated his landmark "Quantum Chemistry". Perhaps the biggest change in the years since the first edition is the proliferation of computational chemistry programs that calculate molecular properties. McQuarrie has presented step-by-step SCF calculations of a helium atom in Chapter 9 and a hydrogen molecule in Chapter 10, in addition to including an entire chapter on the Hartree-Fock method and post-Hartree-Fock methods for the calculation of molecular properties. The book also uses problems to encourage the use of an invaluable National Institute of Science and Technology (NIST) website that lists experimental data and the results of various ab initio calculations for hundreds of molecules. 

商品描述(中文翻譯)

在出版了二十四年之後,唐·麥克奎里現在更新了他的里程碑之作《量子化學》。自第一版以來,最大的變化可能是計算化學程序的普及,這些程序可以計算分子性質。麥克奎里在第9章中逐步介紹了氦原子的自洽場計算(SCF),並在第10章中介紹了氫分子的計算,此外還包括了一整章關於哈特里-福克(Hartree-Fock)方法和後哈特里-福克方法用於計算分子性質。該書還使用問題來鼓勵讀者使用寶貴的國家科學技術研究院(NIST)網站,該網站列出了數百種分子的實驗數據和各種從頭計算的結果。