11
11
arbitrary angular momentum (up to m-type functions have been tested).
12
12
* Linear R12 methods, including MP2-R12.
13
13
* Excited-state methods, including CIS(D), RPA, CCSD, and CC3.
14
* Linear-response properties for SCF, CC2, and CCSD.
15
16
------------------------------------------------------------------------------
19
20
T. Daniel Crawford, C. David Sherrill, Edward F. Valeev, Justin T. Fermann,
20
Rollin A. King, Matthew L. Leininger, Micah L. Abrams, Nicholas J. Russ,
21
Shawn T. Brown, Curtis L. Janssen, Edward T. Seidl, Joseph P. Kenny, and
22
Wesley D. Allen, PSI 3.3, 2007.
21
Rollin A. King, Matthew L. Leininger, Micah L. Abrams, Francesco A.
22
Evangelista, Andrew C. Simmonett, Justin M. Turney, Nicholas J. Russ, Shawn
23
T. Brown, Curtis L. Janssen, Edward T. Seidl, Joseph P. Kenny, and Wesley
24
D. Allen, PSI 3.4, 2009.
24
A manuscript describing the PSI programs is in press in the Journal of
25
Computational Chemistry.
26
Please cite the manuscript describing the PSI3 program:
27
"PSI3: An open-source ab initio electronic structure package",
28
T. D. Crawford, C. D. Sherrill, E. F. Valeev, J. T. Fermann, R. A. King,
29
M. L. Leininger, S. T. Brown, C. L. Janssen, E. T. Seidl, J. P. Kenny,
30
and W. D. Allen, J. Comp. Chem. 28, 1610 (2007).
27
32
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servicing, repair or correction.
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58
------------------------------------------------------------------------------
55
*** SPECIAL NOTE for LaTeX2HTML users *** EFV 6/15/00 At least the
56
latest version of LaTeX2HTML translator (v0.99_1) has a bug in it which
57
prevents The Psi 3 User's and Programmer's manuals from being converted
58
into HTML form. Included in psi3/misc is a patch file which should be
59
applied directly to the latex2html script (type 'which latex2html' to
60
find its precise location on your system). To apply the patch just type
61
'patch latex2html misc/latex2html.v0.99_1.patch'. You might need superuser
62
privileges to do that.