Quantum Monte Carlo for floppy molecules: Vibrational states of C3

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Abstract
Correlation function quantum Monte Carlo, a stochastic method for simultaneously computing ground and excited states, has been used to calculate vibrational states of C3 to ascertain the usefulness of the approach for weakly bound systems. Up to 14 low lying states of C3 were determined for two potential energy surfaces. Furthermore, the vibrational wave functions have been examined to ascertain the linearity of C3.