Del 48
Hartree-Fock Ab Initio Treatment of Crystalline Systems
Cesare Pisani, Roberto Dovesi, Carla Roetti
Häftad, 1988
1 104 kr
Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials
1 104 kr
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Beskrivning
A number of general-purpose, reasonably accurate and well-tested ab-initio codes for crystals are discussed in this book. The aim is to expand competence of their application in material sciences and solid-state 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 ab-initio computer codes for crystals. Three different programs which are available to all interested potential users on request are presented.
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Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials
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