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Lecture
Electronic Structure Methods
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Related lectures (31)
Electronic Structure Methods
Covers basis set errors, Hartree-Fock methods, electron correlation, configuration interaction, and composite approaches in computational chemistry.
Q&A Session: Written Exam Details and Electronic Structure Methods
Covers written exam details and electronic structure methods for computational chemistry.
Hartree-Fock Methods: Types and Performance
Explores different types of HF methods, their performance, electron correlation, and post-HF methods.
Quantum Chemistry Fundamentals
Introduces the fundamentals of quantum chemistry, including Hartree-Fock wavefunctions and density functional theory.
Multiconfigurational Methods
Covers multiconfigurational methods in quantum chemistry, exploring wave function flexibility, electron correlation, FCI wave function, and challenges in N₂ dissociation.
Computational Chemistry: Basics and Applications
Series covers diverse computational chemistry approaches and their applications in organic chemistry.
Hartree-Fock Method: Basis Set Superposition Error and CP Correction
Explores the Hartree-Fock method, emphasizing basis set errors and CP correction.
Size Extensivity & Coupled Cluster Theory
Explores size extensivity, coupled cluster theory, exponential form advantages, and energy principles in quantum chemistry.
Computational Quantum Chemistry: Basics and Methods
Covers the basics of computational quantum chemistry, including the Schrödinger equation and quantum chemical methods.
Size Extensivity and Consistency in Quantum Chemistry
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Explores size extensivity and consistency in quantum chemistry, post-Hartree-Fock methods, and perturbed wavefunction expansion.
Basis set superposition error
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Explores Basis Set Superposition Error in quantum chemistry calculations and the Counter-Poise correction to estimate it.
Quantum Chemistry Fundamentals
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Covers the basics of quantum chemistry and the Hartree-Fock method.
Electron Correlation: Theory and Methods
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Explores electron correlation, exchange-correlation holes, and post-Hartree-Fock methods for accurate electronic structure calculations.
Editing Input Files in vi: Hartree-Fock Method and XYZ Format
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Covers the Hartree-Fock method, Gaussian.com usage, XYZ format, and Open Babel.
Coupled Cluster Theory: Size Consistency
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Explores the Coupled Cluster theory, discussing Size Extensivity, Size Consistency, and post-Hartree-Fock methods.
Moller-Plesset Perturbation Theory: Energy Corrections and Wavefunction Expansion
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Delves into Moller-Plesset Perturbation Theory, discussing energy corrections and wavefunction expansion in quantum chemistry.
Quantum Chemistry: Molecular Orbital Theory
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Covers the fundamentals of quantum chemistry, focusing on molecular orbital theory and conservation of orbital equivalence.
Quantum Chemistry
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Covers topics related to Quantum Chemistry, including bond orders and molecular structures.
Quantum Chemistry: Eigenfunctions and Hermitian Operators
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Discusses eigenfunctions of Hermitian operators in quantum chemistry and the quantization of energy levels.
Quantum Chemistry: Eigenfunctions and Operators
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Explores eigenfunctions and operators in quantum chemistry, emphasizing their significance in understanding bound states.
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