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Simple Theorems, Proofs, and Derivations in Quantum Chemistry (Hardcover, 2003 ed.): Istvan Mayer Simple Theorems, Proofs, and Derivations in Quantum Chemistry (Hardcover, 2003 ed.)
Istvan Mayer
R6,343 Discovery Miles 63 430 Ships in 10 - 15 working days

Since 1983 I have been delivering lectures at Budapest University that are mainly attended by chemistry students who have already studied quantum chem istry in the amount required by the (undergraduate) chemistry curriculum of the University, and wish to acquire deeper insight in the field, possibly in prepara tion of a master's or Ph.D. thesis in theoretical chemistry. In such a situation, I have the freedom to discuss, in detail, a limited number of topics which I feel are important for one reason or another. The exact coverage may vary from year to year, but I usually concentrate on the general principles and theorems and other basic theoretical results which I foresee will retain their importance despite the rapid development of quantum chemistry. I commonly organize my lectures by treating the subject from the begin ning, without referring explicitly to any actual previous knowledge in quantum chemistry-only some familiarity with its goals, approaches and, to a lesser ex tent, techniques is supposed. I concentrate on the formulae and their derivation, assuming the audience essentially understands the reasons for deriving these results. This book is basically derived from the material of my lectures. The spe cial feature, distinguishing it from most other textbooks, is that all results are explicitly proved or derived, and the derivations are presented completely, step by step. True understanding of a theoretical result can be achieved only if one has gone through its derivation."

Bond Orders and Energy Components - Extracting Chemical Information from Molecular Wave Functions (Paperback): Istvan Mayer Bond Orders and Energy Components - Extracting Chemical Information from Molecular Wave Functions (Paperback)
Istvan Mayer
R2,269 Discovery Miles 22 690 Ships in 12 - 19 working days

While modern computational methods can provide us with the wave function of a molecule in numerical form, most computer programs lack the sophisticated tools needed to extract chemical concepts from these wave functions. Saving researchers vast time and potential confusion, this volume collects and organizes those validated tools currently scattered throughout the literature and details their application. It provides immediate access for those needing to calculate such critical factors as bond order and valence indices, and atomic and diatomic contributions to molecular energy. Supporting material is available for download from the authors' continually updated website.

Simple Theorems, Proofs, and Derivations in Quantum Chemistry (Paperback, Softcover reprint of the original 1st ed. 2003):... Simple Theorems, Proofs, and Derivations in Quantum Chemistry (Paperback, Softcover reprint of the original 1st ed. 2003)
Istvan Mayer
R5,754 Discovery Miles 57 540 Ships in 10 - 15 working days

Since 1983 I have been delivering lectures at Budapest University that are mainly attended by chemistry students who have already studied quantum chem istry in the amount required by the (undergraduate) chemistry curriculum of the University, and wish to acquire deeper insight in the field, possibly in prepara tion of a master's or Ph.D. thesis in theoretical chemistry. In such a situation, I have the freedom to discuss, in detail, a limited number of topics which I feel are important for one reason or another. The exact coverage may vary from year to year, but I usually concentrate on the general principles and theorems and other basic theoretical results which I foresee will retain their importance despite the rapid development of quantum chemistry. I commonly organize my lectures by treating the subject from the begin ning, without referring explicitly to any actual previous knowledge in quantum chemistry-only some familiarity with its goals, approaches and, to a lesser ex tent, techniques is supposed. I concentrate on the formulae and their derivation, assuming the audience essentially understands the reasons for deriving these results. This book is basically derived from the material of my lectures. The spe cial feature, distinguishing it from most other textbooks, is that all results are explicitly proved or derived, and the derivations are presented completely, step by step. True understanding of a theoretical result can be achieved only if one has gone through its derivation."

Bond Orders and Energy Components - Extracting Chemical Information from Molecular Wave Functions (Hardcover, New): Istvan Mayer Bond Orders and Energy Components - Extracting Chemical Information from Molecular Wave Functions (Hardcover, New)
Istvan Mayer
R4,921 Discovery Miles 49 210 Ships in 12 - 19 working days

While modern computational methods can provide us with the wave function of a molecule in numerical form, most computer programs lack the sophisticated tools needed to extract chemical concepts from these wave functions. Saving researchers vast time and potential confusion, this volume collects and organizes those validated tools currently scattered throughout the literature and details their application. It provides immediate access for those needing to calculate such critical factors as bond order and valence indices, and atomic and diatomic contributions to molecular energy. Supporting material is available for download from the authors' continually updated website.

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