20 Commits

Author	SHA1	Message	Date
Emmanuel Giner	50d1f364e0	Phase problem fixed	2016-09-20 12:04:48 +02:00
Emmanuel Giner	376e4940db	second order works for 2p	2016-09-19 18:06:34 +02:00
Emmanuel Giner	c6b7acbc4e	definitive version for the second order of 1h2p and 2h1p	2016-09-19 13:38:37 +02:00
Emmanuel Giner	a73461035f	second order ok for 2h1p	2016-09-18 20:53:28 +02:00
Emmanuel Giner	fbb1409b35	second order for 1h2p with mono excitations	2016-09-18 19:46:13 +02:00
Emmanuel Giner	c2e04c647c	Interaction with Dyall Hamiltonian for the third order	2016-09-15 21:21:41 +02:00
Emmanuel Giner	8a94e0e972	working on second order corrections with multi parentage	2016-09-15 18:34:07 +02:00
Emmanuel Giner	0ebfef5233	new way works for the 1h2p	2016-09-11 13:13:46 +02:00
Emmanuel Giner	8ad7a5c82f	merging with new way	2016-09-10 17:00:34 +02:00
Emmanuel Giner	156cbbdb27	New way pt2 is ok for 2h1p	2016-09-10 16:51:09 +02:00
Emmanuel Giner	9a152ca037	Beginning new way for computing pt2	2016-09-10 12:32:33 +02:00
Emmanuel Giner	9121d1a604	corrected bugs in fock for MRPT	2016-09-08 15:48:52 +02:00
Emmanuel Giner	a6dced35ac	strange things in MRPT	2016-09-08 12:28:02 +02:00
Emmanuel Giner	d5a76190ca	Good Dyall Hamiltonian	2016-09-07 14:49:52 +02:00
Emmanuel Giner	dbf894a99a	mrpt new with multi state version	2016-09-01 17:43:33 +02:00
Emmanuel Giner	6ebeae0a10	MRPT2 new with separated classes	2016-08-30 18:10:44 +02:00
Emmanuel Giner	8aebbd02cc	New PT2 with dressed matrix is working on H2	2016-08-30 14:10:52 +02:00
Emmanuel Giner	3f11982d10	minor bug fixed in new mrpt2	2016-08-26 20:06:43 +02:00
Emmanuel Giner	0075d01bd9	New perturbation theory is working	2016-08-26 18:00:49 +02:00
Emmanuel Giner	78254c68c9	Formally finished to code the MRPT_Utils	2016-08-24 16:43:01 +02:00