In linear variation method using two orthogonal basis functions, the two roots obtained are ε₀ and ε₁ (ε₀ <… · ABC26PH1160
Subject: Physical Chemistry · Chapter: Quantum Chemistry · Topic: Quantum Chemistry – General · Exam: CSIR NET 2020-2021 · Marks: 2 · Difficulty: Medium
In linear variation method using two orthogonal basis functions, the two roots obtained are $\epsilon_0$ and $\epsilon_1$ $(\epsilon_0 < \epsilon_1)$. The correct relation of these with exact ground and first excited state energies, $E_0$ and $E_1$, respectively, is (1) $\epsilon_0 \geq E_0$ and $\epsilon_1 < E_1$ (2) $\epsilon_0 < E_1$ and $\epsilon_1 \geq E_1$ (3) $\epsilon_0 < E_0$ and $\epsilon_1 < E_1$ (4) $\epsilon_0 \geq E_0$ and $\epsilon_1 \geq E_1$