Lecture Notes in Chemistry - Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials
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Published By Springer Berlin Heidelberg

9783540616450, 9783642614781

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Description of an LAPW DF Program (WIEN95)

Lecture Notes in Chemistry - Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials ◽

10.1007/978-3-642-61478-1_9 ◽

1996 ◽

pp. 139-153 ◽

Cited By ~ 17

Author(s):

Karlheinz Schwarz ◽

Peter Blaha

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The Quantum Theory of Periodic Systems on Modern Computers

Lecture Notes in Chemistry - Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials ◽

10.1007/978-3-642-61478-1_7 ◽

1996 ◽

pp. 113-124

Author(s):

Nicholas M. Harrison

Keyword(s):

Quantum Theory ◽

Periodic Systems

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Macroscopic Dielectric Polarization: Hartree-Fock Theory

Lecture Notes in Chemistry - Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials ◽

10.1007/978-3-642-61478-1_15 ◽

1996 ◽

pp. 273-288 ◽

Cited By ~ 3

Author(s):

Raffaele Resta

Keyword(s):

Dielectric Polarization ◽

Hartree Fock

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Reciprocal Space Integration and Special-Point Techniques

Lecture Notes in Chemistry - Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials ◽

10.1007/978-3-642-61478-1_4 ◽

1996 ◽

pp. 77-89 ◽

Cited By ~ 1

Author(s):

Andrea Dal Corso

Keyword(s):

Reciprocal Space ◽

Special Point

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Hartree-Fock Treatment of Spin-Polarized Crystals

Lecture Notes in Chemistry - Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials ◽

10.1007/978-3-642-61478-1_6 ◽

1996 ◽

pp. 101-112 ◽

Cited By ~ 3

Author(s):

Edoardo Aprà

Keyword(s):

Hartree Fock ◽

Spin Polarized

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The CRYSTAL code

Lecture Notes in Chemistry - Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials ◽

10.1007/978-3-642-61478-1_8 ◽

1996 ◽

pp. 125-137 ◽

Cited By ~ 13

Author(s):

Carla Roetti

Keyword(s):

Crystal Code

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Loss of Symmetry in Crystals: Surfaces and Local Defects

Lecture Notes in Chemistry - Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials ◽

10.1007/978-3-642-61478-1_13 ◽

1996 ◽

pp. 227-244 ◽

Cited By ~ 3

Author(s):

Cesare Pisani

Keyword(s):

Local Defects

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The Language of Band Theory

Lecture Notes in Chemistry - Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials ◽

10.1007/978-3-642-61478-1_2 ◽

1996 ◽

pp. 31-46 ◽

Cited By ~ 1

Author(s):

Roberto Dovesi

Keyword(s):

Band Theory

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Ab-Initio Approaches to the Quantum-Mechanical Treatment of periodic Systems

Lecture Notes in Chemistry - Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials ◽

10.1007/978-3-642-61478-1_3 ◽

1996 ◽

pp. 47-75 ◽

Cited By ~ 10

Author(s):

Cesare Pisani

Keyword(s):

Ab Initio ◽

Mechanical Treatment ◽

Periodic Systems ◽

Quantum Mechanical ◽

Quantum Mechanical Treatment

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Total Energy and Related Properties

Lecture Notes in Chemistry - Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials ◽

10.1007/978-3-642-61478-1_11 ◽

1996 ◽

pp. 179-207 ◽

Cited By ~ 4

Author(s):

Roberto Dovesi

Keyword(s):

Total Energy

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Lecture Notes in Chemistry - Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline MaterialsLatest Publications

TOTAL DOCUMENTS

H-INDEX

Published By Springer Berlin Heidelberg

Description of an LAPW DF Program (WIEN95)

The Quantum Theory of Periodic Systems on Modern Computers

Macroscopic Dielectric Polarization: Hartree-Fock Theory

Reciprocal Space Integration and Special-Point Techniques

Hartree-Fock Treatment of Spin-Polarized Crystals

The CRYSTAL code

Loss of Symmetry in Crystals: Surfaces and Local Defects

The Language of Band Theory

Ab-Initio Approaches to the Quantum-Mechanical Treatment of periodic Systems

Total Energy and Related Properties

Lecture Notes in Chemistry - Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials
Latest Publications