High-level multireference methods in the quantum-chemistry program system COLUMBUS: Analytic MR-CISD and MR-AQCC gradients and MR-AQCC-LRT for excited states, GUGA spin–orbit CI and parallel CI density
Lischka, Hans, Shepard, Ron, Pitzer, Russell M., Shavitt, Isaiah, Dallos, Michal, Müller, Thomas, Szalay, Pe´ter G., Seth, Michael, Kedziora, Gary S., Yabushita, Satoshi, Zhang, ZhiyongVolume:
3
Year:
2001
Language:
english
Journal:
Physical Chemistry Chemical Physics
DOI:
10.1039/b008063m
File:
PDF, 203 KB
english, 2001