Chemistry · Quantum Chemistry
The energies E± (in atomic units) of bonding (+) and antibonding (-) MOs of H2+, obtained by linear combination of 1s orbitals of H-atoms using the variation principle, are [where J is Coulomb integral, K is exchange integral, S is overlap integral]:
Verified Solution4 OptionsUpdated: October 2026👁️1 View
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- 1-12 + J ± K1 ± S
- 2-1 + J ± K1 ± S
- 3-12 - J ± K1 ± S
- 4-1 - J ± K✓
Correct answer
-1 - J ± K
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