781 views

### Why doesn't ionization energy decrease from O to F or F to Ne?

I know that in general, the first ionization energy increases across a period due to increasing nuclear charge, reasonably constant shielding & decreasing atomic radius. From N to O, however, the ...
99 views

### Do electrons of opposite spin attract each other? [closed]

Electrons of opposite spin create magnetic fields that are opposite to each other. So, is it possible that, 'such electron pairs attract each other' or ' they distract each other less than electron of ...
607 views

### Volume of orbitals

As I was learning about atomic structure, the lecturer made a seemingly dubious claim: The volume of a p orbital is one-third that of the s orbital. Thus, inter-electronic repulsions are ...
714 views

### Hartree-Fock dipole moment

I read this sentence in a paper (J. Phys. Chem. A 2014, 118 (20), 3678–3687. DOI: 10.1021/jp502475e): Calculations using Hartree–Fock theory systematically overestimated dipole moments and ...
3k views

### Half-Filled Shells and Stability explanation [duplicate]

I am reading a book about Advanced Chemistry, and it is discussing the subject of half-filled orbitals. The book notes that Chromium has an electron structure of $1s^2 2s^2 2p^63s^23p^63d^54s^1$ ...
246 views

### Spin interaction term for a two-particle system of fermions with a potential that contains spin-spin interaction

Consider a two-particle system consisting of two identical fermions in a potential $$V(\vec{r})\vec{\sigma_{1}}\cdot\vec{\sigma_{2}}$$ where $V(\vec{r})$ is the spatial part of the potential and the ...
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### Relative energies of singlet and triplet states in Jablonski diagrams

In a Jablonski diagram, we have singlet and triplet excited states where spin is conserved or changed, respectively. My book says any singlet excited state is found to have higher energy than the ...
10k views

### Derivation of the Orgel diagram for octahedral d2 complexes

The Orgel diagram for a typical octahedral $\mathrm{d^2}$ complex is shown below: (source: Kettle, Physical Inorganic Chemistry, p 146) I understand that the right-hand half of the graph shows how ...
27k views

### How do I find the ground state term symbol for transition metal complexes?

I have a problem where I'm trying to match metal complexes with the proper ground state term symbol. I've tried doing a Google search and looking for a process, but haven't had any luck. I decided ...
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### What is the exchange interaction?

As the wikipedia article for the exchange interaction so aptly notes, exchange "has no classical analogue." How wonderful. Exchange shows up essentially while enforcing the condition that two ...
682 views

### Identical particles: Why is triplet oxygen more stable than singlet oxygen?

Quoting from Eisberg Resnick Quantum Physics: If we consider space variables of two electrons (identical particles) to have almost the same values, then their wavefunctions are 'almost' identical ...
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### Why are full and half filled orbitals the most stable?

Why are degenerate orbitals (restricted to a single spin) less stable when neither fully filled nor completely empty? Why, in most molecules, are half-filled and fully-filled shells more stable than ...
In Section 2.3.6 of Szabo & Ostlund's Modern Quantum Chemistry, the exchange integral has the form of \int \mathrm{d}\mathbf{r}_1\,\mathrm{d}\mathbf{r}_2\, \psi_a^*(\mathbf{r}_1) \psi_b(\...