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Results of search for 'au:"Pokhilko, Pavel"'
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Epifanovsky, Evgeny
Glowacki, David
Haggag, Omer S
Izmodenov, Daniil
Krylov, Anna I
Malakar, Partha
Pokhilko, Pavel
Ruhman, Sanford
Shannon, Robin
Stanton, John F
Wang, Hai
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1.
Quantitative El-Sayed Rules for Many-Body Wave Functions from Spinless Transition Density Matrices.
[electronic resource]
by
Pokhilko, Pavel
Krylov, Anna I
Producer:
20190910
In:
The journal of physical chemistry letters
vol. 10
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2.
General framework for calculating spin-orbit couplings using spinless one-particle density matrices: Theory and application to the equation-of-motion coupled-cluster wave functions.
[electronic resource]
by
Pokhilko, Pavel
Epifanovsky, Evgeny
Krylov, Anna I
Publication details:
The Journal of chemical physics
Jul 2019
In:
The Journal of chemical physics
vol. 151
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3.
Extension of frozen natural orbital approximation to open-shell references: Theory, implementation, and application to single-molecule magnets.
[electronic resource]
by
Pokhilko, Pavel
Izmodenov, Daniil
Krylov, Anna I
Producer:
20200124
In:
The Journal of chemical physics
vol. 152
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4.
Double Precision Is Not Needed for Many-Body Calculations: Emergent Conventional Wisdom.
[electronic resource]
by
Pokhilko, Pavel
Epifanovsky, Evgeny
Krylov, Anna I
Producer:
20180820
In:
Journal of chemical theory and computation
vol. 14
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5.
Spin-Forbidden Channels in Reactions of Unsaturated Hydrocarbons with O(
[electronic resource]
by
Pokhilko, Pavel
Shannon, Robin
Glowacki, David
Wang, Hai
Krylov, Anna I
Producer:
20190213
In:
The journal of physical chemistry. A
vol. 123
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6.
The elusive dynamics of aqueous permanganate photochemistry.
[electronic resource]
by
Haggag, Omer S
Malakar, Partha
Pokhilko, Pavel
Stanton, John F
Krylov, Anna I
Ruhman, Sanford
Producer:
20200514
In:
Physical chemistry chemical physics : PCCP
vol. 22
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