Arama Sonuçları - "wave functions"
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1
Reactivity of Nitric Oxide on Copper Surfaces Elucidated by Direct Observation of Valence Orbitals /
Baskı/Yayın Bilgisi Springer Nature Singapore : Imprint: Springer, 2017.Full-text access
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2
Handbook of Computational Chemistry
Baskı/Yayın Bilgisi Springer International Publishing : Imprint: Springer, 2017.İçindekiler: “…From the Contents: From Quantum Theory to Computational Chemistry -- Exceptional status of chemistry -- The Position of the Clamped Nuclei Electronic Hamiltonian in Quantum Mechanics -- Remarks on Wave Function Theory and Methods.…”
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3
Handbook of Relativistic Quantum Chemistry
Baskı/Yayın Bilgisi Springer Berlin Heidelberg : Imprint: Springer, 2017.İçindekiler: “…From the Contents: Introduction to Relativistic Quantum Chemistry -- Introduction to Quantum Electrodynamics -- Relativistic Hamiltonians -- Relativistic Wave Functions -- Relativistic Quantum Chemical Methods -- Applications of Relativistic Quantum Chemical Methods.…”
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4
Computer Algebra and Materials Physics A Practical Guidebook to Group Theoretical Computations in Materials Science /
Baskı/Yayın Bilgisi Springer International Publishing : Imprint: Springer, 2018.İçindekiler: “…Dedication -- Preface -- Introduction -- Computation of Group Theoretical Properties Using "GAP" -- Some Preliminaries -- Application 1: Identification of Wave Functions to Irreducible Representations -- Application 2: A Systematic Way of the Material Designing -- Technical Details -- Symmetry in C60 -- Analysis of Vibrational Mode in C60 -- Final Remarks -- Appendices A-J.…”
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5
Bonding in Electron-Rich Molecules Qualitative Valence-Bond Approach via Increased-Valence Structures /
Baskı/Yayın Bilgisi Springer International Publishing : Imprint: Springer, 2016.İçindekiler: “…From the Contents: Atomic Orbitals, Electron Spin, Linear Combinations -- Pauling '3-Electron Bonds', 4-Electron 3-Centre Bonding, and the Need for an 'Increased Valence' Theory -- Wave-Functions and Valence-Bond Structures for 1-Electron Bonds, Electron-Pair Bonds, Pauling '3-Electron Bonds' and 'No Bonds' -- Valence-Bond Structures for Some Diatomic Molecules.…”
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6
Structural Chemistry Principles, Methods, and Case Studies /
Baskı/Yayın Bilgisi Springer International Publishing : Imprint: Springer, 2018.İçindekiler: “…Atomic Structure and Quantum Mechanics -- Wave Function Theories and Electron Structure Methods. …”
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7
Péter R. Surján A Festschrift from Theoretical Chemistry Accounts /
Baskı/Yayın Bilgisi Springer Berlin Heidelberg : Imprint: Springer, 2016.İçindekiler: “…-Spin contamination and noncollinearity in general complex Hartree-Fock wave functions.-Partial-wave decomposition of the ground-state wavefunction of the two-electron harmonium atom.…”
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8
Many-Body Methods for Atoms, Molecules and Clusters
Baskı/Yayın Bilgisi Springer International Publishing : Imprint: Springer, 2018.Full-text access
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9
Highly Accurate Spectroscopic Parameters from Ab Initio Calculations The Interstellar Molecules l-C3H+ and C4 /
Baskı/Yayın Bilgisi Springer Fachmedien Wiesbaden : Imprint: Springer Spektrum, 2016.Full-text access
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