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...
Since 1983 I have been delivering lectures at Budapest University that are mainly attended by chemistry students who have already studied quantum chem...
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...
While modern computational methods can provide us with the wave function of a molecule in numerical form, most computer programs lack the sophistic...
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...
Since 1983 I have been delivering lectures at Budapest University that are mainly attended by chemistry students who have already studied quantum chem...
