1. Department of Chemistry, University of Illinois at Urbana−Champaign, Urbana, Illinois 61801, United States
2. Center for Computational Sciences, University of Tsukuba, Tsukuba, Ibaraki 305-8577, Japan
3. Advanced Computing, Mathematics and Data Division, Pacific Northwest National Laboratory, Richland, Washington 99352, United States
4. Department of Chemistry, University of Washington, Seattle, Washington 98195, United States
5. Quantum Theory Project, University of Florida, Gainesville, Florida 32611, United States