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Title: α-CASSCF: An Efficient, Empirical Correction for SA-CASSCF To Closely Approximate MS-CASPT2 Potential Energy Surfaces

Authors:
; ; ORCiD logo
Publication Date:
Research Org.:
SLAC National Accelerator Lab., Menlo Park, CA (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
1369418
DOE Contract Number:  
AC02-76SF00515; ACI-1429830
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Physical Chemistry Letters; Journal Volume: 8; Journal Issue: 11
Country of Publication:
United States
Language:
English

Citation Formats

Snyder, James W., Parrish, Robert M., and Martínez, Todd J.. α-CASSCF: An Efficient, Empirical Correction for SA-CASSCF To Closely Approximate MS-CASPT2 Potential Energy Surfaces. United States: N. p., 2017. Web. doi:10.1021/acs.jpclett.7b00940.
Snyder, James W., Parrish, Robert M., & Martínez, Todd J.. α-CASSCF: An Efficient, Empirical Correction for SA-CASSCF To Closely Approximate MS-CASPT2 Potential Energy Surfaces. United States. doi:10.1021/acs.jpclett.7b00940.
Snyder, James W., Parrish, Robert M., and Martínez, Todd J.. Thu . "α-CASSCF: An Efficient, Empirical Correction for SA-CASSCF To Closely Approximate MS-CASPT2 Potential Energy Surfaces". United States. doi:10.1021/acs.jpclett.7b00940.
@article{osti_1369418,
title = {α-CASSCF: An Efficient, Empirical Correction for SA-CASSCF To Closely Approximate MS-CASPT2 Potential Energy Surfaces},
author = {Snyder, James W. and Parrish, Robert M. and Martínez, Todd J.},
abstractNote = {},
doi = {10.1021/acs.jpclett.7b00940},
journal = {Journal of Physical Chemistry Letters},
number = 11,
volume = 8,
place = {United States},
year = {Thu May 18 00:00:00 EDT 2017},
month = {Thu May 18 00:00:00 EDT 2017}
}