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Results tagged with quantum-chemistry
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user 115228
Quantum chemistry is a subfield of quantum mechanics. Like its parent field, quantum chemistry focuses on understanding physical phenomena occuring at the atomic scale. Quantum chemistry however is more focused on providing useful descriptions of electronic structure to aid in understanding chemical problems (e.g. reactions, spectra, dynamics, ...).
2
votes
Filling 3d and 4s orbitals
Filling of electrons follows the aufbau principle. So according to this rule $3d$ orbitals are filled after the filling of $4s$ orbitals. This is because $3d$ orbitals have slightly more energy than $ …
- 1,664
8
votes
How to find the orbital a given wavefunction represents?
The general form of the radial wave function for hydrogen like atom is, $$ R(r) = - \sqrt{ \Bigl(\frac{2Z}{na_o}\Bigr)^3 \frac{(n-l-1)!}{2n(n+l)!}}e^{-\frac{Zr}{na_o}} \Bigl(\frac{2Zr}{na_o}\Bigr)^l L …
- 1,664
4
votes
How do we write spin multiplicity for Mn(2+), Mn(7+)?
Spin multiplicity = $2S+1$, where $S$ is the total spin angular momentum. Now $S = \frac{n}{2}$ where $n$ represents total number of unpaired electrons. So now we can write spin multiplicity = $n+1$.
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