1. Department of Chemistry, New York University 1 , New York, New York 10003, USA
2. Simons Center for Computational Physical Chemistry, New York University 2 , New York, New York 10003, USA
3. Department of Chemistry, Stanford University 3 , Stanford, California 94305, USA
4. Courant Institute of Mathematical Sciences, New York University 4 , New York, New York 10012, USA