Highly accurate simulations of the quantum mechanics that underlie chemical bonding and chemical reactivity are generally very expensive
Transition metal compounds are traditionally considered to be challenging for standard quantum chemi...
The domain based local pair natural orbital coupled cluster method with single-, double-, and pertur...
Transition metal compounds are traditionally considered to be challenging for standard quantum chemi...
Highly accurate simulations of the quantum mechanics that underlie chemical bonding and chemical rea...
Highly accurate simulations of the quantum mechanics that underlie chemical bonding and chemical rea...
Highly accurate simulations of the quantum mechanics that underlie chemical bonding and chemical rea...
Accurate energetic modeling of large molecular systems is always desired by chemists. For example, l...
Wavefunction-based methods for large systems are desirable for exploring problems where DFT is eithe...
<div> <div>A shortcoming of presently available fragment-based methods is that electron correlation ...
There are a lot of interesting problems in surface chemistry where quantum chemistry could give grea...
A variant of coupled-cluster theory is described here, wherein the degrees of freedom are fluctuatio...
Today, coupled-cluster (CC) theory has emerged as the most accurate, widely applicable approach for ...
There are a lot of interesting problems in surface chemistry where quantum chemistry could give grea...
The recently developed domain-based local pair natural orbital coupled cluster theory with single, d...
There are a lot of interesting problems in surface chemistry where quantum chemistry could give grea...
Transition metal compounds are traditionally considered to be challenging for standard quantum chemi...
The domain based local pair natural orbital coupled cluster method with single-, double-, and pertur...
Transition metal compounds are traditionally considered to be challenging for standard quantum chemi...
Highly accurate simulations of the quantum mechanics that underlie chemical bonding and chemical rea...
Highly accurate simulations of the quantum mechanics that underlie chemical bonding and chemical rea...
Highly accurate simulations of the quantum mechanics that underlie chemical bonding and chemical rea...
Accurate energetic modeling of large molecular systems is always desired by chemists. For example, l...
Wavefunction-based methods for large systems are desirable for exploring problems where DFT is eithe...
<div> <div>A shortcoming of presently available fragment-based methods is that electron correlation ...
There are a lot of interesting problems in surface chemistry where quantum chemistry could give grea...
A variant of coupled-cluster theory is described here, wherein the degrees of freedom are fluctuatio...
Today, coupled-cluster (CC) theory has emerged as the most accurate, widely applicable approach for ...
There are a lot of interesting problems in surface chemistry where quantum chemistry could give grea...
The recently developed domain-based local pair natural orbital coupled cluster theory with single, d...
There are a lot of interesting problems in surface chemistry where quantum chemistry could give grea...
Transition metal compounds are traditionally considered to be challenging for standard quantum chemi...
The domain based local pair natural orbital coupled cluster method with single-, double-, and pertur...
Transition metal compounds are traditionally considered to be challenging for standard quantum chemi...
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