General Questions 139 topics

This is the place where you can put general questions/inquiries about MRCC related things.

Subject	Replies / Views	Last Post
multi-reference CI approaches with cfour Category: General Questions Topic started 10 years 2 months ago, by yafuguan Last Post 10 years 2 months ago by kallay	Replies:1 Views:4812	Last Post by kallay 10 years 2 months ago
Dipole moment Category: General Questions Topic started 10 years 6 months ago, by tamas821 Last Post 10 years 4 months ago by tamas821 1 2	Replies:8 Views:14.9k	Last Post by tamas821 10 years 4 months ago
How to restart transition density calculation? Category: General Questions Topic started 10 years 6 months ago, by leos Last Post 10 years 6 months ago by leos	Replies:2 Views:4742	Last Post by leos 10 years 6 months ago
possible inaccuracies in calculating ECP integrals Category: General Questions Topic started 10 years 8 months ago, by leos Last Post 10 years 8 months ago by leos	Replies:2 Views:4575	Last Post by leos 10 years 8 months ago
print Dominant CI coefficients for every root Category: General Questions Topic started 11 years 3 months ago, by leos Last Post 10 years 9 months ago by leos	Replies:5 Views:5124	Last Post by leos 10 years 9 months ago
MOLPRO+MRCC run; is it stuck or proceeding okay Category: General Questions Topic started 10 years 9 months ago, by jsimmie Last Post 10 years 9 months ago by kallay	Replies:3 Views:4865	Last Post by kallay 10 years 9 months ago
Spin-orbit ECP Category: General Questions Topic started 10 years 11 months ago, by leos Last Post 10 years 11 months ago by kallay	Replies:1 Views:4782	Last Post by kallay 10 years 11 months ago
Convergence CCSDTQ Category: General Questions Topic started 11 years 1 month ago, by nooijen Last Post 11 years 1 month ago by kallay	Replies:2 Views:4503	Last Post by kallay 11 years 1 month ago
Calculating Excited Electronic States using MRCC Category: General Questions Topic started 11 years 3 months ago, by samstohme Last Post 11 years 2 months ago by samstohme 1 2 3	Replies:17 Views:19.9k	Last Post by samstohme 11 years 2 months ago
Calculating Excited Electronic States using MRCC Category: General Questions Topic started 11 years 2 months ago, by samstohme Last Post 11 years 2 months ago by samstohme	Replies:0 Views:4425	Last Post by samstohme 11 years 2 months ago
Calculating Excited Electronic States using MRCC Category: General Questions Topic started 11 years 2 months ago, by samstohme Last Post 11 years 2 months ago by samstohme	Replies:0 Views:4450	Last Post by samstohme 11 years 2 months ago
Geometry Optimization with MRCC Category: General Questions Topic started 11 years 2 months ago, by ccqc Last Post 11 years 2 months ago by kallay	Replies:1 Views:4984	Last Post by kallay 11 years 2 months ago
CC energy contributions Category: General Questions Topic started 11 years 3 months ago, by szsmiga Last Post 11 years 3 months ago by szsmiga	Replies:4 Views:4547	Last Post by szsmiga 11 years 3 months ago
UHF Category: General Questions Topic started 11 years 5 months ago, by pablod@fq.edu.uy Last Post 11 years 5 months ago by pablod@fq.edu.uy	Replies:2 Views:4480	Last Post by pablod@fq.edu.uy 11 years 5 months ago
singlet-triplet transitions (spin-flip) Category: General Questions Topic started 11 years 5 months ago, by leos Last Post 11 years 5 months ago by leos	Replies:2 Views:4439	Last Post by leos 11 years 5 months ago
Dirac+Frequency-dependent polarizabilities Category: General Questions Topic started 11 years 8 months ago, by leos Last Post 11 years 8 months ago by kallay	Replies:1 Views:4322	Last Post by kallay 11 years 8 months ago
errors in the MOLDEN file generated by MRCC Category: General Questions Topic started 11 years 9 months ago, by wzou Last Post 11 years 9 months ago by kallay	Replies:2 Views:4678	Last Post by kallay 11 years 9 months ago
Oscillator strenth Category: General Questions Topic started 11 years 10 months ago, by Gess Last Post 11 years 10 months ago by kallay	Replies:1 Views:4319	Last Post by kallay 11 years 10 months ago
Printing CCDENSITIES with Dirac Category: General Questions Topic started 11 years 10 months ago, by leos Last Post 11 years 10 months ago by leos	Replies:4 Views:4637	Last Post by leos 11 years 10 months ago

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General Questions 139 topics

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