orbital optimization
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Author(s):  
Carlos Mejuto-Zaera ◽  
Demeter Tzeli ◽  
David Williams-Young ◽  
Norm M. Tubman ◽  
Mikuláš Matoušek ◽  
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2020 ◽  
Author(s):  
Christian L. Ritterhoff

Project report on using Kriging for SCF orbital optimization.


2020 ◽  
Author(s):  
Christian L. Ritterhoff

Project report on using Kriging for SCF orbital optimization.


2020 ◽  
Vol 152 (7) ◽  
pp. 074102 ◽  
Author(s):  
David A. Kreplin ◽  
Peter J. Knowles ◽  
Hans-Joachim Werner

2019 ◽  
Vol 40 (14) ◽  
pp. 1463-1470 ◽  
Author(s):  
Christian Kollmar ◽  
Kantharuban Sivalingam ◽  
Benjamin Helmich‐Paris ◽  
Celestino Angeli ◽  
Frank Neese

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