Quantum Chemistry for Atoms, Molecules and Solids
  • Home
Menu

Thursday, March 7, 2019

Courses Online
New

An Introduction to the Electronic Structure of Atoms and Molecules

Abderrahmane Al jazairi 10:12 AM Chemistry, Courses Online

    Dr. Richard F.W. Bader 
    Professor of Chemistry / McMaster University / Hamilton, Ontario


Preface
1. The Nature of the Problem
2. The New Physics
3. The Hydrogen Atom
4. Many-Electron Atoms
5. Electronic Basis for the Properties of the Elements
6. The Chemical Bond
7. Ionic and Covalent Binding
8. Molecular Orbitals
Table of Contour Values
Credits

Reference: https://www.chemistry.mcmaster.ca/esam/

Facebook Twitter Google+ Pinterest Linkedin
Courses Online
Posted by Abderrahmane Al jazairi at 10:12 AM
Email ThisBlogThis!Share to XShare to FacebookShare to Pinterest
Labels: Chemistry, Courses Online

No comments:

Post a Comment

Newer Post Older Post Home
View mobile version
Subscribe to: Post Comments (Atom)

Popular

  • Generalized Matrix Numerov Solutions to the Schr ̈odinger Equation
    Abstract     The 1-D time-independent Schr ̈odinger equation is an ordinary differential equations that can be solved numerically using the ...
  • From plane waves to local Gaussians for the simulation of correlated periodic systems
    George H. Booth,1, a) Theodoros Tsatsoulis,2 Garnet Kin-Lic Chan,3 and Andreas Gr¨uneis2, b) 1)Department of Physics, King’s College Lond...
  • Orbitals, the Basics: Atomic Orbital Tutorial — probability, shapes, energy
    Orbitals, the Basics: Atomic Orbital Tutorial — probability, shapes, energy
  • Quantum Mechanics: The Hydrogen Atom
    12th April 2008 I. The Hydrogen Atom  In this next section, we will tie together the elements of the last several sections to arrive at ...
  • Hartree-Fock-Slater Method for Materials Science: The DV-X Alpha Method for Design and Characterization of Materials
      ...
  • Hartree-Fock Ab Initio Treatment of Crystalline Systems [ BOOK ]
      ...
  • Electrons orbits in Helium Atom
      Electrons orbits of a Helium atom. Figure 1. The shape of electrons orbits of a Helium atom in the para- configuration, which correspo...
  • Quantum Chemistry ( Professor S. M. Blinder )
      Quantum Chemistry Spring Term 2002 Professor S. M. Blinder sblinder@umich.edu Teaching Assistant: Elvera Baron barone@umich.edu ...
  • Self-Consistent Procedures for Generalized Valence Bond Wavefunctions. Applications H3, BH, H20, C2H6, and 02*
      w. J. HUNT,t P. J. HAY,t AND w. A. GoDDARD III     (Received 26 October 1971)     Methods of efficiently optimizing the orbitals of genera...
  • Semi-empirical scf calculation
     Semiempirical calculations can be run on computers using readily available programs such as MOPAC. It is possible to use MOPAC for research...

Categories

  • Ab initio Codes (3)
  • Approximate Methods (5)
  • Articles (23)
  • Atomic Calculations (37)
  • Atomic Orbitals (15)
  • Atomic-like Orbitals (1)
  • Atoms (4)
  • Basis Functions and Basis Sets (27)
  • Books (43)
  • Chemistry (1)
  • Computional Quantum Chemistry (4)
  • Configuration Interaction Method (1)
  • Correlation Interaction (4)
  • Courses Online (5)
  • Crystaline Calculations (1)
  • Definitions (2)
  • DFT Theory (1)
  • Douglas Hartree (1)
  • Effective Charge (2)
  • Experiments (1)
  • Fortran Codes (2)
  • Gaussian Functions (8)
  • Hartree Equations (2)
  • Hartree Metod (1)
  • Hartree-Fock Theory (9)
  • Helium Atom (22)
  • Hydrogen Atom (24)
  • Hydrogen Molecule (3)
  • HYLLERAAS (10)
  • Initial Guesses (1)
  • John Slater (5)
  • LCAO Technique (2)
  • Lectures (9)
  • Linus Pauling (1)
  • Majorana (1)
  • Many-Body Approaches (1)
  • Mathematical Solutions (10)
  • Matrix Calculations (2)
  • Molecular Calculations (13)
  • Molecular Orbitals (8)
  • Molecules (2)
  • Most Important References (10)
  • Numerical Methods (15)
  • Optimizing Basis Functions (1)
  • Plane Wave Functions (1)
  • Polarized Atoms and Molecules (1)
  • Presentations (1)
  • Programs and Codes (3)
  • SCF Convergence (2)
  • SCF Methods (3)
  • SCF Procdure (8)
  • Semi-empirical Methods (1)
  • Sites (8)
  • Slater Functions (3)
  • Solid Calculations (4)
  • Solid Orbitals (2)
  • Spherical Functions (1)
  • Statistical Theory (1)
  • Thomas-Fermi theory (7)
  • Trial Functions (3)
  • Valence-Bond Theory (1)
  • Variational and Methods (1)
  • Variational and Perturbation Methods (7)
  • Videos (4)
  • Virial Theory (1)
  • Wave Functions (2)
  • William Noyes (1)
Distributed By Protemplateslab - Created By Only Blogger Templates