QuantumMechanical Abinitio Calculation of the Properties of Crystalline Materials (Lecture Notes in Chemistry, 67),Used

QuantumMechanical Abinitio Calculation of the Properties of Crystalline Materials (Lecture Notes in Chemistry, 67),Used

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A number of generalpurpose, reasonably accurate and welltested abinitio codes for crystals are discussed in this book. The aim is to expand competence of their application in material sciences and solidstate physics. The book addresses particularly readers with a general knowledge in quantum chemistry and intends to give a deeper insight into the special algorithms and computational techniques in abinitio computer codes for crystals. Three different programs which are available to all interested potential users on request are presented.

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