{"product_id":"handbook-of-computational-quantum-chemistry-paperback","title":"Handbook of Computational Quantum Chemistry - Paperback","description":"\u003cp\u003eby \u003cb\u003eDavid B. Cook\u003c\/b\u003e (Author)\u003c\/p\u003e\u003cp\u003eQuantum chemistry forms the basis of molecular modeling, a tool widely used to obtain important chemical information and visual images of molecular systems. Recent advances in computing have resulted in considerable developments in molecular modeling, and these developments have led to significant achievements in the design and synthesis of drugs and catalysts. This comprehensive text provides upper-level undergraduates and graduate students with an introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations.\u003cbr\u003eWritten in a straightforward and accessible manner, this \u003ci\u003eHandbook of Computational Quantum Chemistry\u003c\/i\u003e encompasses such topics as the Hartree-Fock method; matrix SCF equations; the implementation of the closed-shell case; and an introduction to molecular integrals that extends to their implementation. Other topics and subtopics include open shells; population analysis; molecular symmetry and symmetry orbital transformations; linear multi-determinant methods; core potentials; time-dependent perturbations; density functional theory; and implementation of the Kohn-Sham equations. The text concludes with helpful suggestions for additional reading.\u003c\/p\u003e\u003cdiv\u003e\n\u003cstrong\u003eNumber of Pages:\u003c\/strong\u003e 848\u003c\/div\u003e\u003cdiv\u003e\n\u003cstrong\u003eDimensions:\u003c\/strong\u003e 1.69 x 8.48 x 6.64 IN\u003c\/div\u003e\u003cdiv\u003e\n\u003cstrong\u003eIllustrated:\u003c\/strong\u003e Yes\u003c\/div\u003e\u003cdiv\u003e\n\u003cstrong\u003ePublication Date:\u003c\/strong\u003e August 02, 2005\u003c\/div\u003e","brand":"Books by splitShops","offers":[{"title":"Default Title","offer_id":51756158189856,"sku":"9780486443072","price":39.95,"currency_code":"USD","in_stock":false}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0974\/9764\/5344\/files\/e75d31150a9b0bfb6983c4ed735c7705.webp?v=1780075867","url":"https:\/\/ebocreations.com\/products\/handbook-of-computational-quantum-chemistry-paperback","provider":"The E-Book Oasis LLC","version":"1.0","type":"link"}