Quantum Chemistry, 2/e (Hardcover)
暫譯: 量子化學,第二版(精裝本)
Donald A. McQuarrie
- 出版商: University Science
- 出版日期: 2007-10-31
- 售價: $2,380
- 貴賓價: 9.8 折 $2,332
- 語言: 英文
- 頁數: 690
- 裝訂: Hardcover
- ISBN: 1891389505
- ISBN-13: 9781891389504
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相關分類:
化學 Chemistry、量子 Quantum
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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)
在出版二十四年後,Don McQuarrie 現在更新了他的里程碑著作《量子化學》。自第一版以來,最大的變化可能是計算化學程式的激增,這些程式可以計算分子性質。McQuarrie 在第九章中逐步展示了氦原子的自洽場(SCF)計算,在第十章中則展示了氫分子的計算,此外還包括了一整章關於哈特里-福克(Hartree-Fock)方法及後哈特里-福克方法的分子性質計算。本書還利用問題來鼓勵讀者使用國家標準與技術研究所(NIST)的一個寶貴網站,該網站列出了數百種分子的實驗數據和各種從頭計算(ab initio calculations)的結果。