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Concepts and Methods in Modern Theoretical Chemistry
Latest Publications
TOTAL DOCUMENTS
22
(FIVE YEARS 0)
H-INDEX
0
(FIVE YEARS 0)
Published By CRC Press
9780429067181
Latest Documents
Most Cited Documents
Contributed Authors
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Related Keywords
Latest Documents
Most Cited Documents
Contributed Authors
Related Sources
Related Keywords
- Electronic Excitation Energies of Molecular Systems from the Bethe–Salpeter Equation: Example of the H2 Molecule
Concepts and Methods in Modern Theoretical Chemistry
◽
10.1201/b14048-26
◽
2016
◽
pp. 404-427
Keyword(s):
Electronic Excitation
◽
Excitation Energies
◽
Molecular Systems
◽
H2 Molecule
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Intermolecular Interactions through Energy Decomposition: A Chemist’s Perspective
Concepts and Methods in Modern Theoretical Chemistry
◽
10.1201/b14048-23
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2016
◽
pp. 350-381
Keyword(s):
Intermolecular Interactions
◽
Energy Decomposition
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- Single Determinantal Approximations: Hartree–Fock, Optimized Effective Potential Theory, Density Functional Theory
Concepts and Methods in Modern Theoretical Chemistry
◽
10.1201/b14048-21
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2016
◽
pp. 290-331
Keyword(s):
Density Functional Theory
◽
Potential Theory
◽
Effective Potential
◽
Density Functional
◽
Functional Theory
◽
Hartree Fock
◽
Optimized Effective Potential
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Benchmark Studies of Spectroscopic Parameters for Hydrogen Halide Series via Scalar Relativistic State-Specic Multireference Perturbation Theory
Concepts and Methods in Modern Theoretical Chemistry
◽
10.1201/b14048-14
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2016
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pp. 156-171
Keyword(s):
Perturbation Theory
◽
Hydrogen Halide
◽
Multireference Perturbation Theory
◽
Spectroscopic Parameters
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- Energy Functionals for Excited States
Concepts and Methods in Modern Theoretical Chemistry
◽
10.1201/b14048-13
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2016
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pp. 136-155
Keyword(s):
Excited States
◽
Energy Functionals
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- Uncertainty and Entropy Properties for Coulomb and Simple Harmonic Potentials Modified by 
Concepts and Methods in Modern Theoretical Chemistry
◽
10.1201/b14048-30
◽
2016
◽
pp. 478-487
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- Perfectly Periodic Table of Elements in Nonrelativistic Limit of Large Atomic Number
Concepts and Methods in Modern Theoretical Chemistry
◽
10.1201/b14048-24
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2016
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pp. 382-385
Keyword(s):
Atomic Number
◽
Periodic Table
◽
Nonrelativistic Limit
◽
Large Atomic Number
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- Analysis of Generalized Gradient Approximation for Exchange Energy
Concepts and Methods in Modern Theoretical Chemistry
◽
10.1201/b14048-22
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2016
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pp. 332-349
Keyword(s):
Exchange Energy
◽
Generalized Gradient
◽
Generalized Gradient Approximation
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- Spin and Orbital Physics of Alkali Superoxides: p-Band Orbital Ordering
Concepts and Methods in Modern Theoretical Chemistry
◽
10.1201/b14048-19
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2016
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pp. 258-271
Keyword(s):
Orbital Ordering
◽
Orbital Physics
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- Quantum Chemistry of Highly Symmetrical Molecules and Free-Space Clusters, Plus Almost Spherical Cages of C and B Atoms
Concepts and Methods in Modern Theoretical Chemistry
◽
10.1201/b14048-12
◽
2016
◽
pp. 116-135
Keyword(s):
Quantum Chemistry
◽
Free Space
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