Concept information
Preferred term
quantum chemistry
Type
-
http://www.irandoc.ac.ir/onto/irandoc-meta/Concept
Broader concept
Related concepts
- ab initio method
- absorptivity
- adiabatic connection method
- angular momentum
- angular wave function
- antibonding molecular orbital
- antibonding orbital
- antisymmetric wave function
- atomic hamiltonian
- atomic level
- atomic orbital
- atomic structure
- atomic term
- atomic unit
- atomic wave function
- austin model 1
- average values
- basis functions
- blackbody radiation
- bohr
- bohr theory
- boltzmann distribution law
- bond creation
- bonding molecular orbital
- bonding orbital
- born-oppenheimer method
- bose-einstein statistic
- bosons
- bracket notation
- chemical bond
- chemical bond energy
- commutator
- commuting operator
- complete neglect of differential overlap
- computational chemistry
- condon-slater rules
- configuration state function
- correlation diagram
- correlation energy
- de broglie equation
- degeneracy
- degenerate orbitals
- density-functional method
- diamagnetism
- diatomic molecule
- dipole moment
- d orbital
- eigenfunction
- eigenvalue
- electrical charge
- electric dipole moment
- electromagnetic radiation
- electron correlation
- electronic configuration
- electronic term
- electron probability density
- electron spin
- electron-spin multiplicity
- electron-spin-resonance spectroscopy
- emission coefficient
- energy level
- equilibrium distance
- excited state
- excited state energy level
- expectation value
- fermi-dirac statistic
- fermions
- ferromagnetism
- fock operator
- f orbital
- force constant
- fourier transform spectroscopy
- gaussian
- ground state energy level
- half-integral spin
- hamiltonian function
- hamiltonian operator
- harmonic oscillator
- harmonic-oscillator wave function
- hartree
- hartree-fock calculations
- hartree-fock method
- hartree-fock self-consistent-field method
- hartree self-consistent-field method
- hermitian operator
- hund principle
- hund's rule
- hybridization
- hybrid orbital
- hydrogen molecule
- hydrogen molecule ion
- integral spin
- intermediate neglect of differential overlap
- ionization energy
- ladder operator
- laplacian operator
- linear combination of atomic orbitals
- linear operator
- magnetic dipole moment
- magnetic field
- magnetic property
- matrix element
- matrix mechanics
- matter-radiation interaction
- matter wave
- measurement
- microwave spectroscopy
- modified neglect of diatomic overlap
- molcas
- molecular dipole
- molecular electronic structure
- molecular orbital
- molecular orbital theory
- molecular property
- molecular symmetry
- moller-plesset perturbation theory
- moment of inertia
- multielectron atom
- multiple bond
- nonbonding molecular orbital
- nonbonding orbital
- normalization constant
- nuclear motion
- oniom
- operator
- orbital
- orbital angular momentum
- orbital energy
- orbital exponent
- orbital spiliting
- orbital symmetry
- orthogonal
- orthonormal
- overlap integral
- paramagnetism
- parity
- particle in a box
- pauli exclution principle
- pauli principle
- permutation operator
- perturbation theory
- photoelectron spectroscopy
- pm3 quantum mechanics method
- polarizability
- polyatomic molecule
- p orbital
- potential energy function
- potential well
- probability density
- quantized energy
- quantum
- quantum error correction
- quantum limitation
- quantum mechanics
- quantum mechanics method
- quantum number
- quantum optic
- quantum physic
- quantum postulate
- quantum theory of atoms in molecules(qtaim)
- quantum topological molecular similarity
- radial distribution function
- radial equation
- radial wave function
- raman spectroscopy
- reduced mass
- relativistic quantum theory
- relaxation process
- rigid rotor
- rotational constant
- rotational motion
- rotational states
- russel-saunders coupling
- schrodinger equation
- selection rules
- semi-empirical quantum mechanics method
- shell
- similarity transformation
- slater determinant
- slater orbital
- slater rules
- slater-type orbitals
- s orbital
- spectroscopy
- spherical coordinates
- spherical harmonics
- spin
- spin angular momentum
- spin magnetic moment
- spin-orbit coupling
- spin-orbit interaction
- spin state
- stationary state
- statistical mechanics
- subshell
- superposition
- symmetric wave function
- symmetry
- term wave function
- time-dependent density functional theory
- time-dependent schrodinger equation
- time-independent schrodinger equation
- total electronic angular momentum
- total electronic orbital angular momentum
- total electronic spin angular momentum
- tunneling
- tunneling effect
- two-dimentional spectroscopy
- ultroviolet spectroscopy
- uncertainty
- uncertainty principle
- vacant orbital
- valence bond method
- valence-shell electron-pair repulsion theory(vsper)
- variation method
- vibrational motion
- vibrational states
- vibration frequency
- virial method
- wave function
- wave mechanics
- wave-particle duality
- well-behaved function
- x-ray spectroscopy
- zeeman effect
- zero point energy
Entry terms
In other languages
-
-
Persian
-
شیمی کوانتمی
URI
http://www.irandoc.acir/onto/irandoc/chem0001862
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