Subject: Physical Chemistry · Chapter: Quantum Chemistry · Topic: Variation Method · Exam: NET DEC 2012 · Marks: 2 · Difficulty: Medium
The trial wave function of a system is expanded as $\psi_{\mathrm{t}}=\mathrm{c}_{1} \phi_{1}+\mathrm{c}_{2} \phi_{2}$. The matrix elements of the Hamiltonian are $\phi_{1} \mathrm{H} \phi_{1}=0 ; \phi 1 \mathrm{H} \phi 2=20=\phi_{2} \mathrm{H} \phi_{1}$ and $\phi_{2} \mathrm{H} \phi_{2} \mathrm{H} \phi_{2}=3.0$. The approximate ground-state energy of the system from the linear variational principle is
(a)-1.0
(b)-2.0
(c)+4.0
(d)+5.0
Answer
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