An up-to-date overview of the CFOUR program system is given. After providing a brief outline of the evolution of the program since its inception in 1989, a comprehensive presentation is given of its well-known capabilities for high-level coupled-cluster theory and its application to molecular properties. Subsequent to this generally well-known background information, much of the remaining content focuses on lesser-known capabilities of CFOUR, most of which have become available to the public only recently or will become available in the near future. Each of these new features is illustrated by a representative example, with additional discussion targeted to educating users as to classes of applications that are now enabled by these capabili...
Today, coupled-cluster (CC) theory has emerged as the most accurate, widely applicable approach for ...
A parallel coupled cluster algorithm that combines distributed and shared memory techniques for the ...
A summary of the technical advances that are incorporated in the fourth major release of the Q-Chem ...
An up-to-date overview of the CFOUR program system is given. After providing a brief outline of the ...
An up-to-date overview of the CFOUR program system is given. After providing a brief outline of the ...
An up-to-date overview of the CFOUR program system is given. After providing a brief outline of the ...
Our overarching goal is the development of wavefunction-based quantum chemistry methods that give go...
Our overarching goal is the development of wavefunction-based quantum chemistry methods that give go...
The thesis starts from mathematically introducing the ab-initio theoretical chemistry, beginning wit...
The thesis starts from mathematically introducing the ab-initio theoretical chemistry, beginning wit...
The thesis starts from mathematically introducing the ab-initio theoretical chemistry, beginning wit...
Coupled-cluster theory provides one of the most successful concepts in electronic-structure theory....
Publisher Copyright: © 2022 The Authors. WIREs Computational Molecular Science published by Wiley Pe...
Publisher Copyright: © 2022 The Authors. WIREs Computational Molecular Science published by Wiley Pe...
Coupled-cluster theory provides one of the most successful concepts in electronic-structure theory....
Today, coupled-cluster (CC) theory has emerged as the most accurate, widely applicable approach for ...
A parallel coupled cluster algorithm that combines distributed and shared memory techniques for the ...
A summary of the technical advances that are incorporated in the fourth major release of the Q-Chem ...
An up-to-date overview of the CFOUR program system is given. After providing a brief outline of the ...
An up-to-date overview of the CFOUR program system is given. After providing a brief outline of the ...
An up-to-date overview of the CFOUR program system is given. After providing a brief outline of the ...
Our overarching goal is the development of wavefunction-based quantum chemistry methods that give go...
Our overarching goal is the development of wavefunction-based quantum chemistry methods that give go...
The thesis starts from mathematically introducing the ab-initio theoretical chemistry, beginning wit...
The thesis starts from mathematically introducing the ab-initio theoretical chemistry, beginning wit...
The thesis starts from mathematically introducing the ab-initio theoretical chemistry, beginning wit...
Coupled-cluster theory provides one of the most successful concepts in electronic-structure theory....
Publisher Copyright: © 2022 The Authors. WIREs Computational Molecular Science published by Wiley Pe...
Publisher Copyright: © 2022 The Authors. WIREs Computational Molecular Science published by Wiley Pe...
Coupled-cluster theory provides one of the most successful concepts in electronic-structure theory....
Today, coupled-cluster (CC) theory has emerged as the most accurate, widely applicable approach for ...
A parallel coupled cluster algorithm that combines distributed and shared memory techniques for the ...
A summary of the technical advances that are incorporated in the fourth major release of the Q-Chem ...