Q89 · CSIR-NET Chemistry, June 2014

Paper: CSIR-NET June 2014 · Subject: Physical Chemistry · Chapter: Quantum Chemistry · Topic: Variation Method · Marks: 2 · Difficulty: Medium

For some one-electron system with $\mathrm{l}=0$ and $\mathrm{m}=0$, the functions $\mathrm{N}_{0} \mathrm{e}^{-\sigma}$ and $\mathrm{N}_{1}(2-\sigma) \mathrm{e}^{-\sigma}$ refer respectively to the ground $\left(\mathrm{E}_{0}\right)$ and fist excited $\left(\mathrm{E}_{1}\right)$ energy levels. If a variational wave function $\mathrm{N}_{2}(3-\sigma) \mathrm{e}^{-\sigma}$ yields an average energy $\overline{\mathrm{E}}$, it will satisfy
(a)$\overline{\mathrm{E}} \geq 0$
(b)$0 \leq \overline{\mathrm{E}} \leq \mathrm{E}_{0}$
(c)$\overline{\mathrm{E}} \geq \mathrm{E}_{1}$
(d)$\mathrm{E}_{0} \leq \overline{\mathrm{E}} \leq \mathrm{E}_{1}$
Answer
Answer: D ✓ checked by 4AB · confidence high

The source book printed no answer; this one was worked out and checked — see the explanation.

Explanation
(3 − σ)e^{−σ} is a linear combination of the ground function e^{−σ} and the first excited function (2 − σ)e^{−σ}, so its energy is a weighted average of E₀ and E₁: E₀ ≤ E ≤ E₁.

Study loop for Quantum Chemistry

1. Practise the PYQsPrevious-year questions, with answers

· Browse this chapter in the app