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  2. Hund's rule of maximum multiplicity - Wikipedia

    en.wikipedia.org/wiki/Hund's_Rule_of_Maximum...

    For example, the nitrogen atom ground state has three unpaired electrons of parallel spin, so that the total spin is 3/2 and the multiplicity is 4. The lower energy and increased stability of the atom arise because the high-spin state has unpaired electrons of parallel spin, which must reside in different spatial orbitals according to the Pauli ...

  3. Hund's rules - Wikipedia

    en.wikipedia.org/wiki/Hund's_rules

    The lightest atom that requires the second rule to determine the ground state term is titanium (Ti, Z = 22) with electron configuration 1s 2 2s 2 2p 6 3s 2 3p 6 3d 2 4s 2. In this case the open shell is 3d 2 and the allowed terms include three singlets ( 1 S, 1 D, and 1 G) and two triplets ( 3 P and 3 F).

  4. Variational method (quantum mechanics) - Wikipedia

    en.wikipedia.org/wiki/Variational_method...

    The ground state energy would then be 8E 1 = −109 eV, where E 1 is the Rydberg constant, and its ground state wavefunction would be the product of two wavefunctions for the ground state of hydrogen-like atoms: [2]: 262 (,) = (+) /. where a 0 is the Bohr radius and Z = 2, helium's nuclear charge.

  5. Multiplicity (chemistry) - Wikipedia

    en.wikipedia.org/wiki/Multiplicity_(chemistry)

    When S > L there are only 2L+1 orientations of total angular momentum possible, ranging from S+L to S-L. [2] [3] The ground state of the nitrogen atom is a 4 S state, for which 2S + 1 = 4 in a quartet state, S = 3/2 due to three unpaired electrons. For an S state, L = 0 so that J can only be 3/2 and there is only one level even though the ...

  6. Ground state - Wikipedia

    en.wikipedia.org/wiki/Ground_state

    The ground state of a quantum-mechanical system is its stationary state of lowest energy; the energy of the ground state is known as the zero-point energy of the system. An excited state is any state with energy greater than the ground state. In quantum field theory, the ground state is usually called the vacuum state or the vacuum.

  7. Electron configurations of the elements (data page) - Wikipedia

    en.wikipedia.org/wiki/Electron_configurations_of...

    This website is also cited in the CRC Handbook as source of Section 1, subsection Electron Configuration of Neutral Atoms in the Ground State. 91 Pa : [Rn] 5f 2 (3 H 4) 6d 7s 2; 92 U : [Rn] 5f 3 (4 I o 9/2) 6d 7s 2; 93 Np : [Rn] 5f 4 (5 I 4) 6d 7s 2; 103 Lr : [Rn] 5f 14 7s 2 7p 1 question-marked; 104 Rf : [Rn] 5f 14 6d 2 7s 2 question-marked

  8. Full configuration interaction - Wikipedia

    en.wikipedia.org/wiki/Full_configuration_interaction

    It is a special case of the configuration interaction method in which all Slater determinants (or configuration state functions, CSFs) of the proper symmetry are included in the variational procedure (i.e., all Slater determinants obtained by exciting all possible electrons to all possible virtual orbitals, orbitals which are unoccupied in the electronic ground state configuration).

  9. Degenerate energy levels - Wikipedia

    en.wikipedia.org/wiki/Degenerate_energy_levels

    In quantum mechanics, an energy level is degenerate if it corresponds to two or more different measurable states of a quantum system.Conversely, two or more different states of a quantum mechanical system are said to be degenerate if they give the same value of energy upon measurement.