Error message

  • Deprecated function: Constant PDO::MYSQL_ATTR_USE_BUFFERED_QUERY is deprecated since 8.5, use Pdo\Mysql::ATTR_USE_BUFFERED_QUERY instead in DatabaseConnection_mysql->__construct() (line 332 of /var/www/html/includes/database/mysql/database.inc).
  • Deprecated function: Constant PDO::MYSQL_ATTR_MULTI_STATEMENTS is deprecated since 8.5, use Pdo\Mysql::ATTR_MULTI_STATEMENTS instead in DatabaseConnection_mysql->__construct() (line 339 of /var/www/html/includes/database/mysql/database.inc).

SIC-rSCAN article accepted to PCCP

July 10th, 2020

The article "Assessing the effect of regularization on the molecular properties predicted by SCAN and self-interaction corrected SCAN meta-GGA" (SIC-rSCAN paper) is accepted for publication in Physical Chemistry Chemical Physics today. This work assesses the performance of the rSCAN functional when self-interaction correction is applied.

Accepted manuscript: https://pubs.rsc.org/en/content/articlelanding/2020/cp/d0cp02717k/unauth...

Good work!