Quantum Isobaric Process in Ni2

Using the excited electronic states of Ni 2 , we numerically build isobaric processes starting from different bond lengths and initial temperatures. Due to the complexity of the electronic structure of Ni 2 , the isobaric processes can only be realized within a certain range of bond lengths. During each process the spin moment of the dimer decreases with increasing temperature. The work and the heat involved in the processes are also calculated.