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Thumbnail for entry DFT: Equilibrium structure and binding energy of a diatomic molecule Cl2 (Tutorial 2.1)

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DFT: Equilibrium structure and binding energy of…

DFT: Equilibrium structure and binding energy of a diatomic molecule Cl2 (Tutorial 2.1)

DFT: Equilibrium structure and binding energy of a diatomic molecule Cl2 (Tutorial 2.1)

2018 PARADIM SUMMER SCHOOL Lab 2

state functions
bond lengths
point
calculation
communication
smallest energy
philosophical terminology
concepts in physics
number
approximation
input file
chemical elements
self-consistent
final energy
mathematical terminology
reference frame
top-level domains
caption complete
atomic physics
quantum mechanics
experiment
scientific terminology
systems
input/output
parameter
energy
total energy
molecule
plane wave
electron
basically
general statement
dissociation energy
systems theory
configuration
classical mechanics
structure
chemical bond properties
physical quantities
clothing item
length
mass
cybernetics
wave function
chlorine molecule
From  James Overhiser 202 plays