Home
Menu
Thursday, March 7, 2019
Videos
New
Orbitals, the Basics: Atomic Orbital Tutorial — probability, shapes, energy
Abderrahmane Al jazairi
10:25 AM
Atomic Orbitals
,
Videos
No comments:
Post a Comment
Newer Post
Older Post
Home
View mobile version
Subscribe to:
Post Comments (Atom)
Popular
Basis Functions for Ab Initio Calculations
Leland C. Allen and Arnold M. Karo Rev. Mod. Phys. 32 , 275 – Published 1 April 1960 I. INTRODUCTION THIS article gives a compil...
The Atomic Orbitals of Hydrogen
The discussion of chemical bonding in the main text depends on the description of molecular orbitals as linear combinations of atomic orbita...
Free iterative-complement-interaction calculations of the hydrogen molecule
Yusaku Kurokawa, 1 Hiroyuki Nakashima, 1 and Hiroshi Nakatsuji 1,2 Received 26 June 2005; published 13 December 2005 The free iter...
The Hydrogen Atom
Introduction This section of the Study Guide is intended to supplement the study of the hydrogen atom in an introductory quantum mec...
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 ...
Chemical bond analysis in the ten-electron series ( Bachelor’s Thesis )
Thomas Fransson Introduction Electronic structure theory Computational details Results and discussion https://www.diva-portal.org/...
Optimization of Gaussian basis sets for density-functional calculations
Dirk Porezag and Mark R. Pederson Center for Computational Materials Science, Naval Research Laboratory, Washington, D.C. 20375 ~Recei...
On Convergence Difficulties in the Iterative Hartree—Fock Procedure
Jaroslav Koutecký Vlasta Bonačić Belfer Graduate School of Science, Yeshiva University, New York, New York 10033 Department of Chemistr...
Electron density in the ground states of atoms and molecules
N.H. March Theoretical Chemistry Department, University of Oxford, 5 South Parks Road, Oxford OX1 3UB UK Received 30 October 1991, Availab...
Note on ionization potentials in the Thomas–Fermi theory
Gary Kemister and Sture Nordholm Department of Theoretical Chemistry, University of Sydney, Sydney, N.S.W. 2006, Australia ...
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)
No comments:
Post a Comment